| CAS Number | 1343201-44-4 |
| Catalog Number | AG00HTAM(AGN-PC-0WRA7N) |
| Chemical Name | 2-Chloro-4-(imidazol-1-yl)benzoic acid |
| IUPAC Name | 2-chloro-4-imidazol-1-ylbenzoic acid |
| InChI | InChI=1S/C10H7ClN2O2/c11-9-5-7(13-4-3-12-6-13)1-2-8(9)10(14)15/h1-6H,(H,14,15) |
| InChI Key | FBFTXXXJKPKWHV-UHFFFAOYSA-N |
| MDL Number | MFCD17256585 |
| Molecular Formula | C10H7ClN2O2 |
| Molecular Weight | 222.6278 |
| SMILES | OC(=O)c1ccc(cc1Cl)n1cncc1 |
| Synonyms | 2-Chloro-4-(imidazol-1-yl)benzoic acid,
1343201-44-4,
SCHEMBL15924858,
AKOS012243996,
2-chloro-4-(1H-imidazol-1-yl)benzoic acid,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.628g/mol |
| Monoisotopic Mass | 222.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number