Molecule:100705: Difference between revisions
From ChemWiki
molecule
(auto-generated) |
(auto-generated) |
||
| (2 intermediate revisions by the same user not shown) | |||
| Line 1: | Line 1: | ||
{{Molecule | {{Molecule | ||
|abbrev=Mn(oMesbpy)(CO)2Br | |abbrev=Mn(oMesbpy)(CO)2Br | ||
|molecularFormula= | |molecularFormula= | ||
|molecularMass= | |molecularMass= | ||
|moleculeKey= | |moleculeKey=MMWVUSACGPQHBP-UHFFFAOYSA-M | ||
|molOrRxn= | |molOrRxn= | ||
-INDIGO- | -INDIGO-01102416202D | ||
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 41: | Line 41: | ||
M V30 29 C 6.47682 -8.98054 0.0 0 | M V30 29 C 6.47682 -8.98054 0.0 0 | ||
M V30 30 C 9.93819 -8.97039 0.0 0 | M V30 30 C 9.93819 -8.97039 0.0 0 | ||
M V30 31 Mn | M V30 31 Mn 9.55 -5.025 0.0 0 CHG=1 | ||
M V30 32 Br | M V30 32 Br 9.55 -3.675 0.0 0 CHG=-1 | ||
M V30 33 C | M V30 33 C 10.741 -4.3 0.0 0 CHG=-1 | ||
M V30 34 C | M V30 34 C 10.741 -5.75 0.0 0 CHG=-1 | ||
M V30 35 O | M V30 35 O 11.607 -3.8 0.0 0 CHG=1 | ||
M V30 36 O | M V30 36 O 11.607 -6.25 0.0 0 CHG=1 | ||
M V30 END ATOM | M V30 END ATOM | ||
M V30 BEGIN BOND | M V30 BEGIN BOND | ||
| Line 84: | Line 84: | ||
M V30 34 10 4 31 | M V30 34 10 4 31 | ||
M V30 35 10 9 31 | M V30 35 10 9 31 | ||
M V30 36 | M V30 36 10 31 32 | ||
M V30 37 10 31 33 | M V30 37 10 31 33 | ||
M V30 38 10 31 34 | M V30 38 10 31 34 | ||
| Line 92: | Line 92: | ||
M V30 END CTAB | M V30 END CTAB | ||
M END | M END | ||
|smiles=C1C=C2C3C=CC=C(C4C(C)=CC(C)=CC=4C)N=3[Mn](C#O)(C#O)( | |smiles=C1C=C2C3C=CC=C(C4C(C)=CC(C)=CC=4C)N=3[Mn+]([C-]#[O+])([C-]#[O+])([Br-])N2=C(C2C(C)=CC(C)=CC=2C)C=1 | ||
|inchi=1S/C28H28N2. | |inchi=1S/C28H28N2.2CO.BrH.Mn/c1-17-13-19(3)27(20(4)14-17)25-11-7-9-23(29-25)24-10-8-12-26(30-24)28-21(5)15-18(2)16-22(28)6;2*1-2;;/h7-16H,1-6H3;;;1H;/q;;;;+1/p-1 | ||
|inchikey= | |inchikey=MMWVUSACGPQHBP-UHFFFAOYSA-M | ||
|width= | |width=200 | ||
|height= | |height=200 | ||
|float=none | |float=none | ||
|trivialname= | |trivialname= | ||
Latest revision as of 12:33, 30 January 2024
| Properties | |
|---|---|
| CID | n/a |
| CAS | n/a |
| IUPAC-Name | n/a |
| Abbreviation | Mn(oMesbpy)(CO)2Br |
| 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 |
Click here to copy MOL-file.
Click here to show SMILES and InChI.
Molecule is used on following pages
topic
publication
investigation
