| CAS Number | 620604-10-6 |
| Catalog Number | AG019U1Z(AGN-PC-077SN0) |
| Chemical Name | 1-(5-chloro-1-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-one |
| IUPAC Name | 1-(5-chloro-1-methylbenzimidazol-2-yl)ethanone |
| InChI | InChI=1S/C10H9ClN2O/c1-6(14)10-12-8-5-7(11)3-4-9(8)13(10)2/h3-5H,1-2H3 |
| InChI Key | WAHYUUVIMUBVPB-UHFFFAOYSA-N |
| MDL Number | MFCD17277764 |
| Molecular Formula | C10H9ClN2O |
| Molecular Weight | 208.6443 |
| SMILES | CC(C1N(C)C2=C(C=C(C=C2)Cl)N=1)=O |
| Synonyms | 1-(5-chloro-1-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-one,
620604-10-6,
CHEMBL525074,
SBB082253,
STL285067,
ZINC40980194,
AKOS005141699,
MCULE-1939118703,
NE21151,
2-acetyl-5-chloro-1-methylbenzimidazole,
1-(5-chloro-1-methyl-1H-benzimidazol-2-yl)ethanone,
F2101-0183,
Z1342208387,
1-(5-Chloro-1-methyl-1H-benzoimidazol-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 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number