| CAS Number | 1145670-42-3 |
| Catalog Number | AG01A01J(AGN-PC-0WOD7U) |
| Chemical Name | 1-(6-Chloro-1-methyl-1H-benzo[d]imidazol-2-yl)ethanone |
| IUPAC Name | 1-(6-chloro-1-methylbenzimidazol-2-yl)ethanone |
| InChI | InChI=1S/C10H9ClN2O/c1-6(14)10-12-8-4-3-7(11)5-9(8)13(10)2/h3-5H,1-2H3 |
| InChI Key | AHWIFAIMYTZUCC-UHFFFAOYSA-N |
| MDL Number | MFCD19288835 |
| Molecular Formula | C10H9ClN2O |
| Molecular Weight | 208.6443 |
| SMILES | CC(C1N(C)C2=C(C=CC(=C2)Cl)N=1)=O |
| Synonyms | 1-(6-chloro-1-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-one,
1145670-42-3,
1-(6-Chloro-1-methyl-1H-benzo[d]imidazol-2-yl)ethanone,
CHEMBL445476,
SBB082238,
STL300554,
ZINC40834084,
AKOS005141691,
MCULE-1263082720,
NE20801,
RP26467,
2-acetyl-6-chloro-1-methylbenzimidazole,
1-(6-chloro-1-methyl-1H-benzimidazol-2-yl)ethanone,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.645g/mol |
| Monoisotopic Mass | 208.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number