Molecule:100502: Difference between revisions
From ChemWiki
molecule
No edit summary |
(auto-generated) Tag: Manual revert |
||
| (4 intermediate revisions by the same user not shown) | |||
| Line 1: | Line 1: | ||
{{Molecule | {{Molecule | ||
|abbrev=Ru(bpy)(CO)3(Br) | |abbrev=Ru(bpy)(CO)3(Br) | ||
|moleculeKey= | |moleculeKey=RWJRRORQCOMZIK-UHFFFAOYSA-M | ||
|molOrRxn=-INDIGO- | |molOrRxn= | ||
-INDIGO-01102413012D | |||
0 0 0 0 0 0 0 0 0 0 0 V3000 | 0 0 0 0 0 0 0 0 0 0 0 V3000 | ||
M V30 BEGIN CTAB | M V30 BEGIN CTAB | ||
M V30 COUNTS 20 22 | M V30 COUNTS 20 22 0 0 0 | ||
M V30 BEGIN ATOM | M V30 BEGIN ATOM | ||
M V30 1 Re 0.30604 -0.00717888 0.0 0 | M V30 1 Re 0.30604 -0.00717888 0.0 0 | ||
| Line 22: | Line 23: | ||
M V30 13 C -2.36574 0.855842 0.0 0 | M V30 13 C -2.36574 0.855842 0.0 0 | ||
M V30 14 Br 0.30604 1.31389 0.0 0 | M V30 14 Br 0.30604 1.31389 0.0 0 | ||
M V30 15 C 1. | M V30 15 C 0.30604 -1.00718 0.0 0 CHG=-1 | ||
M V30 16 | M V30 16 C 1.16315 0.674928 0.0 0 CHG=-1 | ||
M V30 17 C 1. | M V30 17 C 1.17207 -0.507179 0.0 0 CHG=-1 | ||
M V30 18 O | M V30 18 O 1.92025 1.23203 0.0 0 CHG=1 | ||
M V30 19 | M V30 19 O 2.03809 -1.00718 0.0 0 CHG=1 | ||
M V30 20 O 0.30604 -2. | M V30 20 O 0.30604 -2.00718 0.0 0 CHG=1 | ||
M V30 END ATOM | M V30 END ATOM | ||
M V30 BEGIN BOND | M V30 BEGIN BOND | ||
M V30 1 2 | M V30 1 2 2 3 | ||
M V30 2 | M V30 2 1 3 4 | ||
M V30 3 2 | M V30 3 2 4 5 | ||
M V30 4 | M V30 4 1 5 6 | ||
M V30 5 2 | M V30 5 2 6 7 | ||
M V30 6 | M V30 6 1 7 2 | ||
M V30 7 | M V30 7 1 6 8 | ||
M V30 8 | M V30 8 2 8 9 | ||
M V30 9 | M V30 9 1 9 10 | ||
M V30 10 | M V30 10 2 10 11 | ||
M V30 11 | M V30 11 1 11 12 | ||
M V30 12 | M V30 12 2 12 13 | ||
M V30 13 1 | M V30 13 1 13 8 | ||
M V30 14 | M V30 14 8 1 9 | ||
M V30 15 1 | M V30 15 8 5 1 | ||
M V30 16 | M V30 16 1 1 14 | ||
M V30 17 1 | M V30 17 10 1 15 | ||
M V30 18 | M V30 18 10 1 16 | ||
M V30 19 1 | M V30 19 10 1 17 | ||
M V30 20 | M V30 20 3 16 18 | ||
M V30 21 | M V30 21 3 17 19 | ||
M V30 22 | M V30 22 3 15 20 | ||
M V30 END BOND | M V30 END BOND | ||
M V30 END CTAB | M V30 END CTAB | ||
M END | M END | ||
|smiles=[Re](Br)1 | |smiles=[Re]([C-]#[O+])([C-]#[O+])([C-]#[O+])(Br)1~N2C(C3C=CC=CN=3~1)=CC=CC=2 | ||
|inchi=1S/C10H8N2. | |inchi=1S/C10H8N2.3CO.BrH.Re/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= | |inchikey=RWJRRORQCOMZIK-UHFFFAOYSA-M | ||
|width= | |width=200 | ||
|height= | |height=200 | ||
|float=none | |float=none | ||
|molecularMass= | |molecularMass=505.927582316 | ||
|molecularFormula=C<sub>13</sub>H<sub> | |molecularFormula=C<sub>13</sub>H<sub>8</sub>BrN<sub>2</sub>O<sub>3</sub>Re | ||
|trivialname= | |||
|synonyms= | |||
|hasVendors= | |||
|parent= | |||
}} | }} | ||
Latest revision as of 14:44, 6 September 2024
| Properties | |
|---|---|
| CID | n/a |
| CAS | n/a |
| IUPAC-Name | n/a |
| Abbreviation | Ru(bpy)(CO)3(Br) |
| Trivialname | n/a |
| Exact mass | 505.927582316 |
| Molecular formula | C13H8BrN2O3Re |
| LogP | n/a |
| Has vendors | n/a |
| Molecular role | n/a |
| Synonyms | n/a |
Click here to copy MOL-file.
Click here to show SMILES and InChI.
