| CAS Number | 944905-33-3 |
| Catalog Number | AG01EK4G |
| Chemical Name | 2-chloro-1H-imidazole-5-carboxylic acid |
| IUPAC Name | 2-chloro-1H-imidazole-5-carboxylic acid |
| InChI | InChI=1S/C4H3ClN2O2/c5-4-6-1-2(7-4)3(8)9/h1H,(H,6,7)(H,8,9) |
| InChI Key | KWLYGBOXKJWYMU-UHFFFAOYSA-N |
| MDL Number | MFCD13182101 |
| Molecular Formula | C4H3ClN2O2 |
| Molecular Weight | 146.5318 |
| SMILES | OC(C1NC(Cl)=NC=1)=O |
| Synonyms | 2-CHLORO-1H-IMIDAZOLE-5-CARBOXYLIC ACID,
944905-33-3,
1H-Imidazole-5-carboxylic acid, 2-chloro-,
SCHEMBL3095712,
KWLYGBOXKJWYMU-UHFFFAOYSA-N,
2-chloro-imidazole-4-carboxylic acid,
AKOS006349285,
AB57013,
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 145.988g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 146.53g/mol |
| Monoisotopic Mass | 145.988g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number