Molecule:100691: Difference between revisions
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molecule
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{{Molecule | {{Molecule | ||
|abbrev=Mn(phdk)(CO)3Br | |||
|abbrev= | |moleculeKey=KOYXLRUHHLMCRS-UHFFFAOYSA-M | ||
|moleculeKey= | |||
|molOrRxn= | |molOrRxn= | ||
-INDIGO- | -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 30: | Line 26: | ||
M V30 16 O 9.39805 -1.2925 0.0 0 | M V30 16 O 9.39805 -1.2925 0.0 0 | ||
M V30 17 Mn 8.375 -5.525 0.0 0 CHG=1 | M V30 17 Mn 8.375 -5.525 0.0 0 CHG=1 | ||
M V30 18 C 7.50897 -6.025 0.0 0 | M V30 18 C 7.50897 -6.025 0.0 0 CHG=-1 | ||
M V30 19 C 9.24102 -6.025 0.0 0 | M V30 19 C 9.24102 -6.025 0.0 0 CHG=-1 | ||
M V30 20 C 8.375 -6.525 0.0 0 | M V30 20 C 8.375 -6.525 0.0 0 CHG=-1 | ||
M V30 21 Br 8.375 -4.525 0.0 0 CHG=-1 | M V30 21 Br 8.375 -4.525 0.0 0 CHG=-1 | ||
M V30 22 O 6.64295 -6.525 0.0 0 | M V30 22 O 6.64295 -6.525 0.0 0 CHG=1 | ||
M V30 23 O 8.375 -7.525 0.0 0 | M V30 23 O 8.375 -7.525 0.0 0 CHG=1 | ||
M V30 24 O 10.1071 -6.525 0.0 0 | M V30 24 O 10.1071 -6.525 0.0 0 CHG=1 | ||
M V30 END ATOM | M V30 END ATOM | ||
M V30 BEGIN BOND | M V30 BEGIN BOND | ||
| Line 69: | Line 65: | ||
M V30 END CTAB | M V30 END CTAB | ||
M END | M END | ||
|smiles=C1C=CN2[Mn+]([Br-])([C-]#[O+])([C-]#[O+])([C-]#[O+])N3=CC=CC4C(=O)C(=O)C=1C=2C=43 | |||
|smiles=C1C=CN2[Mn+]([Br-])(C#O)(C#O)(C#O)N3=CC=CC4C(=O)C(=O)C=1C=2C=43 | |inchi=1S/C12H6N2O2.3CO.BrH.Mn/c15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10;3*1-2;;/h1-6H;;;;1H;/q;;;;;+1/p-1 | ||
|inchi=1S/C12H6N2O2. | |inchikey=KOYXLRUHHLMCRS-UHFFFAOYSA-M | ||
|inchikey= | |width=200 | ||
|width= | |height=200 | ||
|height= | |||
|float=none | |float=none | ||
|molecularMass=427.884053492 | |||
|molecularFormula=C<sub>15</sub>H<sub>6</sub>BrMnN<sub>2</sub>O<sub>5</sub> | |||
|trivialname= | |||
|synonyms= | |||
|hasVendors= | |||
|parent= | |parent= | ||
}} | }} | ||
Latest revision as of 13:49, 23 May 2024
| Properties | |
|---|---|
| CID | n/a |
| CAS | n/a |
| IUPAC-Name | n/a |
| Abbreviation | Mn(phdk)(CO)3Br |
| Trivialname | n/a |
| Exact mass | 427.884053492 |
| Molecular formula | C15H6BrMnN2O5 |
| LogP | n/a |
| Has vendors | n/a |
| Molecular role | n/a |
| Synonyms | n/a |
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