| CAS Number | 1334149-04-0 |
| Catalog Number | AG00HSW7(AGN-PC-0WQZT6) |
| Chemical Name | 2-Phenyl-1H-imidazole-4-carboxylic acid hydrochloride |
| IUPAC Name | 2-phenyl-1H-imidazole-5-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C10H8N2O2.ClH/c13-10(14)8-6-11-9(12-8)7-4-2-1-3-5-7;/h1-6H,(H,11,12)(H,13,14);1H |
| InChI Key | FKITVMQUJAEGBU-UHFFFAOYSA-N |
| MDL Number | MFCD19686325 |
| Molecular Formula | C10H9ClN2O2 |
| Molecular Weight | 224.6437 |
| SMILES | Cl.OC(C1N=C(C2=CC=CC=C2)NC=1)=O |
| UNII | 8U3ON589MO |
| Synonyms | 2-phenyl-1H-imidazole-4-carboxylic acid hydrochloride,
1334149-04-0,
UNII-8U3ON589MO,
8U3ON589MO,
2-Phenyl-1H-imidazole-5-carboxylic acid hydrochloride,
SCHEMBL6861539,
EN300-81678,
2-Phenylimidazole-4-carboxylic acid hydrochloride,
1H-Imidazole-5-carboxylic acid, 2-phenyl-, hydrochloride (1:1),
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| Complexity | 214 |
| 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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