Molecule:100752: Difference between revisions

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molecule
(auto-generated)
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(auto-generated)
Tag: Reverted
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|moleculeKey=ZUZWBGQHMPVNDY-UHFFFAOYSA-M
|moleculeKey=ZUZWBGQHMPVNDY-UHFFFAOYSA-M
|molOrRxn=
|molOrRxn=
   -INDIGO-05172311492D
   -INDIGO-01102415542D


   0  0  0  0  0  0  0  0  0  0  0 V3000
   0  0  0  0  0  0  0  0  0  0  0 V3000
Line 23: Line 23:
M  V30 11 C 5.25885 -6.00309 0.0 0
M  V30 11 C 5.25885 -6.00309 0.0 0
M  V30 12 C 5.26531 -7.00314 0.0 0
M  V30 12 C 5.26531 -7.00314 0.0 0
M  V30 13 Mn 7.8 -5.075 0.0 0 CHG=1
M  V30 13 Mn 8.025 -5.0 0.0 0 CHG=1
M  V30 14 C 7.8 -6.075 0.0 0 CHG=-1
M  V30 14 C 8.025 -6.275 0.0 0 CHG=-1
M  V30 15 C 8.66603 -5.575 0.0 0 CHG=-1
M  V30 15 C 9.11603 -5.75 0.0 0 CHG=-1
M  V30 16 C 8.50711 -4.36789 0.0 0 CHG=-1
M  V30 16 C 9.08211 -4.01789 0.0 0 CHG=-1
M  V30 17 Br 7.8 -4.075 0.0 0 CHG=-1
M  V30 17 Br 8.025 -3.775 0.0 0 CHG=-1
M  V30 18 O 7.8 -7.075 0.0 0 CHG=1
M  V30 18 O 8.025 -7.275 0.0 0 CHG=1
M  V30 19 O 9.53205 -6.075 0.0 0 CHG=1
M  V30 19 O 9.98205 -6.25 0.0 0 CHG=1
M  V30 20 O 9.21421 -3.66079 0.0 0 CHG=1
M  V30 20 O 9.78921 -3.31079 0.0 0 CHG=1
M  V30 END ATOM
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 BEGIN BOND
Line 58: Line 58:
M  V30 END CTAB
M  V30 END CTAB
M  END
M  END
|smiles=C1C=C2C3C=CC=CN=3[Mn+]([Br-])([C-]#[O+])([C-]#[O+])([C-]#[O+])N2=CC=1
|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
|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

Revision as of 15:55, 10 January 2024

Properties
CID n/a
CAS n/a
IUPAC-Name n/a
Abbreviation Mn(bpy)(CO)3Br
Trivialname n/a
Exact mass 373.909874316
Molecular formula C13H8BrMnN2O3
LogP n/a
Has vendors n/a
Molecular role n/a
Synonyms n/a

Mn(bpy)(CO)3Br


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