| CAS Number | 10227-64-2 |
| Catalog Number | AG008V8S(AGN-PC-0NI48Z) |
| Chemical Name | 1-(1H-Benzo[d]imidazol-2-yl)-2-chloroethanone |
| IUPAC Name | 1-(1H-benzimidazol-2-yl)-2-chloroethanone |
| InChI | InChI=1S/C9H7ClN2O/c10-5-8(13)9-11-6-3-1-2-4-7(6)12-9/h1-4H,5H2,(H,11,12) |
| InChI Key | WUDLRXMKBSHPAJ-UHFFFAOYSA-N |
| MDL Number | MFCD09864300 |
| Molecular Formula | C9H7ClN2O |
| Molecular Weight | 194.6177 |
| SMILES | C1=CC=C2C(=C1)NC(=N2)C(=O)CCl |
| Synonyms | 10227-64-2,
1-(1H-benzimidazol-2-yl)-2-chloroethanone,
1-(1H-Benzo[d]imidazol-2-yl)-2-chloroethanone,
Ethanone, 1-(1H-benzimidazol-2-yl)-2-chloro- (9CI),
ZX-CM003783,
FCH836319,
MFCD09864300,
STL264280,
ZINC19089470,
AKOS006283013,
MCULE-2007751663,
AJ-71191,
Y-5702,
1-(1H-1,3-benzodiazol-2-yl)-2-chloroethan-1-one,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.618g/mol |
| Monoisotopic Mass | 194.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number