| CAS Number | 1395040-91-1 |
| Catalog Number | AG00A056(AGN-PC-0WNWR6) |
| Chemical Name | 6-Chloro-2-methyl-1H-benzo[d]imidazol-4-ol |
| IUPAC Name | 6-chloro-2-methyl-1H-benzimidazol-4-ol |
| InChI | InChI=1S/C8H7ClN2O/c1-4-10-6-2-5(9)3-7(12)8(6)11-4/h2-3,12H,1H3,(H,10,11) |
| InChI Key | GSUPYBKZCJCNQZ-UHFFFAOYSA-N |
| MDL Number | MFCD23136983 |
| Molecular Formula | C8H7ClN2O |
| Molecular Weight | 182.6070 |
| SMILES | ClC=1C=C(C2=C(NC(=N2)C)C1)O |
| Synonyms | 6-Chloro-2-methyl-1H-benzo[d]imidazol-4-ol,
1395040-91-1,
MFCD23136983,
ZINC238492721,
AS-41146,
6-Chloro-2-methyl-1h-1,3-benzodiazol-4-ol,
6-chloro-2-methyl-1H-benzo[d]imidazol-4-ol, 95% - 1G 1g,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.607g/mol |
| Monoisotopic Mass | 182.025g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 48.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number