| CAS Number | 4278-13-1 |
| Catalog Number | AG00CXC9 |
| Chemical Name | 2-(1H-Imidazol-2-yl)-benzoic acid hcl |
| IUPAC Name | 2-(1H-imidazol-2-yl)benzoic acid;hydrochloride |
| InChI | InChI=1S/C10H8N2O2.ClH/c13-10(14)8-4-2-1-3-7(8)9-11-5-6-12-9;/h1-6H,(H,11,12)(H,13,14);1H |
| InChI Key | VHBHOFCCXQFQCL-UHFFFAOYSA-N |
| MDL Number | MFCD09908851 |
| Molecular Formula | C10H9ClN2O2 |
| Molecular Weight | 224.6437 |
| SMILES | Cl.OC(C1=C(C2NC=CN=2)C=CC=C1)=O |
| Synonyms | 4278-13-1,
2-(1H-imidazol-2-yl)benzoic acid hydrochloride,
benzoic acid,2-(1h-imidazol-2-yl)-,hydrochloride,
SCHEMBL5854599,
2-(1H-IMIDAZOL-2-YL)-BENZOIC ACID HCL,
2- -BENZOICACIDHCL,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.644g/mol |
| Monoisotopic Mass | 224.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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