| CAS Number | 156212-81-6 |
| Catalog Number | AG00B1CS(AGN-PC-0Q722W) |
| Chemical Name | 6-chloro-1-methyl-1H-1,3-benzodiazole-2-carbaldehyde |
| IUPAC Name | 6-chloro-1-methylbenzimidazole-2-carbaldehyde |
| InChI | InChI=1S/C9H7ClN2O/c1-12-8-4-6(10)2-3-7(8)11-9(12)5-13/h2-5H,1H3 |
| InChI Key | VEHAYIARTMUDIZ-UHFFFAOYSA-N |
| MDL Number | MFCD14584609 |
| Molecular Formula | C9H7ClN2O |
| Molecular Weight | 194.6177 |
| SMILES | CN1C2=C(C=CC(=C2)Cl)N=C1C=O |
| Synonyms | 156212-81-6,
6-chloro-1-methyl-1H-1,3-benzodiazole-2-carbaldehyde,
6-chloro-1-methyl-1H-benzo[d]imidazole-2-carbaldehyde,
6-chloro-1-methyl-1H-Benzimidazole-2-carboxaldehyde,
6-chloro-1-methylbenzimidazole-2-carbaldehyde,
SBB082239,
ZINC53944095,
AKOS005141689,
NE19831,
DB-064122,
FT-0749415,
1H-Benzimidazole-2-carboxaldehyde,6-chloro-1-methyl-(9CI),
1H-Benzimidazole-2-carboxaldehyde, 6-chloro-1-methyl- (9CI),
|
| Complexity | 212 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.618g/mol |
| Monoisotopic Mass | 194.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number