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

Latest revision as of 14:13, 6 September 2024

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@@ 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>
+|molecular_role=catalyst
-|molecularMass=373.909874316
 |moleculeKey=ZUZWBGQHMPVNDY-UHFFFAOYSA-M
-|molOrRxn=
+|molOrRxn=-INDIGO-05172311492D
-  -INDIGO-01102415542D
   0  0  0  0  0  0  0  0  0  0 V3000
@@ Line 23: / Line 21: @@
 M  V30 11 C 5.25885 -6.00309 0.0 0
 M  V30 12 C 5.26531 -7.00314 0.0 0
-M  V30 13 Mn 8.025 -5.0 0.0 0 CHG=1
+M  V30 13 Mn 7.8 -5.075 0.0 0 CHG=1
-M  V30 14 C 8.025 -6.275 0.0 0 CHG=-1
+M  V30 14 C 7.8 -6.075 0.0 0 CHG=-1
-M  V30 15 C 9.11603 -5.75 0.0 0 CHG=-1
+M  V30 15 C 8.66603 -5.575 0.0 0 CHG=-1
-M  V30 16 C 9.08211 -4.01789 0.0 0 CHG=-1
+M  V30 16 C 8.50711 -4.36789 0.0 0 CHG=-1
-M  V30 17 Br 8.025 -3.775 0.0 0 CHG=-1
+M  V30 17 Br 7.8 -4.075 0.0 0 CHG=-1
-M  V30 18 O 8.025 -7.275 0.0 0 CHG=1
+M  V30 18 O 7.8 -7.075 0.0 0 CHG=1
-M  V30 19 O 9.98205 -6.25 0.0 0 CHG=1
+M  V30 19 O 9.53205 -6.075 0.0 0 CHG=1
-M  V30 20 O 9.78921 -3.31079 0.0 0 CHG=1
+M  V30 20 O 9.21421 -3.66079 0.0 0 CHG=1
 M  V30 END ATOM
 M  V30 BEGIN BOND
@@ Line 58: / Line 56: @@
 M  V30 END CTAB
 M  END
 |smiles=C1C=C2C3C=CC=CN=3[Mn+]([Br-])([C-]#[O+])([C-]#[O+])([C-]#[O+])N2=CC=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
@@ Line 65: / Line 62: @@
 |height=200px
 |float=none
-|trivialname=
-|synonyms=
-|hasVendors=
-|parent=
 }}