| CAS Number | 1551711-35-3 |
| Catalog Number | AG01BA6F |
| Chemical Name | 1-(4-chlorophenyl)-1H-1,3-benzodiazole-6-carboxylic acid |
| IUPAC Name | 3-(4-chlorophenyl)benzimidazole-5-carboxylic acid |
| InChI | InChI=1S/C14H9ClN2O2/c15-10-2-4-11(5-3-10)17-8-16-12-6-1-9(14(18)19)7-13(12)17/h1-8H,(H,18,19) |
| InChI Key | CWQWCPMEXULVFD-UHFFFAOYSA-N |
| MDL Number | MFCD25798207 |
| Molecular Formula | C14H9ClN2O2 |
| Molecular Weight | 272.6865 |
| SMILES | OC(C1=CC2=C(N=CN2C2=CC=C(Cl)C=C2)C=C1)=O |
| Synonyms | 1-(4-chlorophenyl)-1H-1,3-benzodiazole-6-carboxylic acid,
1551711-35-3,
AKOS021108961,
ZINC212541094,
Z2092370842,
|
| Complexity | 344 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.688g/mol |
| Monoisotopic Mass | 272.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number