Molecule:100752: Difference between revisions

InChI	1S/C10H8N2.3CO.BrH.Mn/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*1-2;;/h1-8H;;;;1H;/q;;;;;+1/p-1
InChI-Key	ZUZWBGQHMPVNDY-UHFFFAOYSA-M
SMILES	C1C=C2C3C=CC=CN=3[Mn+]([Br-])([C-]#[O+])([C-]#[O+])([C-]#[O+])N2=CC=1

Properties
CID	n/a
CAS	n/a
IUPAC-Name	n/a
Abbreviation	Mn(bpy)(CO)3Br
Trivialname	n/a
Exact mass	n/a
Molecular formula	n/a
LogP	n/a
Has vendors	n/a
Molecular role	n/a
Synonyms	n/a

Revision as of 11:52, 8 February 2024

‎

Mn(bpy)(CO)3Br

Click here to copy MOL-file.

Click here to show SMILES and InChI.

‎

Molecule is used on following pages

topic

publication

Highly Efficient and Robust Photocatalytic Systems for CO2 Reduction Consisting of a Cu(I) Photosensitizer and Mn(I) Catalysts
Visible light driven reduction of CO2 catalyzed by an abundant manganese catalyst with zinc porphyrin photosensitizer
Photocatalytic CO2 reduction using a Mn complex as a catalyst
Mn-carbonyl molecular catalysts containing a redox-active phenanthroline-5,6-dione for selective electro- and photoreduction of CO2 to CO or HCOOH

investigation

@@ Line 1: / Line 1: @@
 {{Molecule
 |abbrev=Mn(bpy)(CO)3Br
-|molecularFormula=C<sub>13</sub>H<sub>8</sub>BrMnN<sub>2</sub>O<sub>3</sub>
+|molecularFormula=
-|molecularMass=373.909874316
+|molecularMass=
 |moleculeKey=ZUZWBGQHMPVNDY-UHFFFAOYSA-M
 |molOrRxn=
-     RDKit          2D
+  -INDIGO-05172311492D
-  0  0  0  0  0  0  0  0  0999 V3000
+  0  0  0  0  0  0  0  0  0  0 V3000
 M  V30 BEGIN CTAB
 M  V30 COUNTS 20 22 0 0 0
 M  V30 BEGIN ATOM
-M  V30 1 C 4.75985 -3.47507 0 0
+M  V30 1 C 5.25985 -3.0 0.0 0
-M  V30 2 C 6.49015 -3.47459 0 0
+M  V30 2 C 6.99015 -2.99959 0.0 0
-M  V30 3 C 5.62664 -2.97497 0 0
+M  V30 3 C 6.12664 -2.49997 0.0 0
-M  V30 4 N 6.49015 -4.47553 0 0
+M  V30 4 N 6.99015 -4.00053 0.0 0
-M  V30 5 C 4.75985 -4.48002 0 0
+M  V30 5 C 5.25985 -4.00502 0.0 0
-M  V30 6 C 5.62882 -4.97503 0 0
+M  V30 6 C 6.12882 -4.50003 0.0 0
-M  V30 7 C 4.75985 -6.42507 0 0
+M  V30 7 C 6.12882 -5.50003 0.0 0
-M  V30 8 N 6.49015 -6.42459 0 0
+M  V30 8 C 6.9954 -6.99769 0.0 0
-M  V30 9 C 5.62664 -5.92497 0 0
+M  V30 9 N 6.99566 -6.0 0.0 0
-M  V30 10 C 6.49015 -7.42553 0 0
+M  V30 10 C 6.12889 -7.49875 0.0 0
-M  V30 11 C 4.75985 -7.43002 0 0
+M  V30 11 C 5.25885 -6.00309 0.0 0
-M  V30 12 C 5.62882 -7.92503 0 0
+M  V30 12 C 5.26531 -7.00314 0.0 0
-M  V30 13 Mn 7.55 -5.475 0 0 CHG=1
+M  V30 13 Mn 7.8 -5.075 0.0 0 CHG=1
-M  V30 14 C 8.41603 -4.975 0 0 CHG=-1
+M  V30 14 C 7.8 -6.075 0.0 0 CHG=-1
-M  V30 15 C 8.41603 -5.975 0 0 CHG=-1
+M  V30 15 C 8.66603 -5.575 0.0 0 CHG=-1
-M  V30 16 C 7.55 -6.475 0 0 CHG=-1
+M  V30 16 C 8.50711 -4.36789 0.0 0 CHG=-1
-M  V30 17 O 7.55 -7.475 0 0 CHG=1
+M  V30 17 Br 7.8 -4.075 0.0 0 CHG=-1
-M  V30 18 O 9.28205 -6.475 0 0 CHG=1
+M  V30 18 O 7.8 -7.075 0.0 0 CHG=1
-M  V30 19 O 9.28205 -4.475 0 0 CHG=1
+M  V30 19 O 9.53205 -6.075 0.0 0 CHG=1
-M  V30 20 Br 7.525 -3.3 0 0 CHG=-1
+M  V30 20 O 9.21421 -3.66079 0.0 0 CHG=1
 M  V30 END ATOM
 M  V30 BEGIN BOND
-M  V30 1 4 3 1
+M  V30 1 2 3 1
-M  V30 2 4 4 2
+M  V30 2 2 4 2
-M  V30 3 4 1 5
+M  V30 3 1 1 5
-M  V30 4 4 2 3
+M  V30 4 1 2 3
-M  V30 5 4 5 6
+M  V30 5 2 5 6
-M  V30 6 4 6 4
+M  V30 6 1 6 4
-M  V30 7 4 9 7
+M  V30 7 1 6 7
-M  V30 8 4 10 8
+M  V30 8 2 9 7
-M  V30 9 4 7 11
+M  V30 9 2 10 8
-M  V30 10 4 8 9
+M  V30 10 1 7 11
-M  V30 11 4 11 12
+M  V30 11 1 8 9
-M  V30 12 4 12 10
+M  V30 12 2 11 12
-M  V30 13 1 6 9
+M  V30 13 1 12 10
 M  V30 14 10 4 13
-M  V30 15 10 8 13
+M  V30 15 10 9 13
 M  V30 16 10 13 14
 M  V30 17 10 13 15
 M  V30 18 10 13 16
-M  V30 19 3 16 17
+M  V30 19 10 13 17
-M  V30 20 3 15 18
+M  V30 20 3 14 18
-M  V30 21 3 14 19
+M  V30 21 3 15 19
-M  V30 22 10 13 20
+M  V30 22 3 16 20
 M  V30 END BOND
 M  V30 END CTAB
 M  END
-|smiles=[O+]#[C-]~[Mn+]1(~[Br-])(~[C-]#[O+])(~[C-]#[O+])~n2ccccc2-c2ccccn~12
+|smiles=C1C=C2C3C=CC=CN=3[Mn+]([Br-])([C-]#[O+])([C-]#[O+])([C-]#[O+])N2=CC=1
-|inchi=InChI=1S/C10H8N2.3CO.BrH.Mn/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*1-2;;/h1-8H;;;;1H;/q;;;;;+1/p-1
+|inchi=1S/C10H8N2.3CO.BrH.Mn/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*1-2;;/h1-8H;;;;1H;/q;;;;;+1/p-1
 |inchikey=ZUZWBGQHMPVNDY-UHFFFAOYSA-M
-|width=200
+|width=300px
-|height=200
+|height=200px
 |float=none
 |trivialname=
 |synonyms=
 |hasVendors=
-|parent=Molecule:100751
+|parent=
 }}

Molecule:100752: Difference between revisions

Revision as of 11:52, 8 February 2024

Molecule is used on following pages

Current site

Topics