| CAS Number | 869002-61-9 |
| Catalog Number | AG004LU1(AGN-PC-09S35Y) |
| Chemical Name | 2-Chloro-1-methyl-1h-imidazole-5-carboxylic acid |
| IUPAC Name | 2-chloro-3-methylimidazole-4-carboxylic acid |
| InChI | InChI=1S/C5H5ClN2O2/c1-8-3(4(9)10)2-7-5(8)6/h2H,1H3,(H,9,10) |
| InChI Key | XSMYIPIZQODQQW-UHFFFAOYSA-N |
| MDL Number | MFCD10696274 |
| Molecular Formula | C5H5ClN2O2 |
| Molecular Weight | 160.5584 |
| SMILES | ClC=1N(C(=CN1)C(=O)O)C |
| Synonyms | 2-CHLORO-1-METHYL-1H-IMIDAZOLE-5-CARBOXYLIC ACID,
869002-61-9,
2-CHLORO-3-METHYLIMIDAZOLE-4-CARBOXYLIC ACID,
SCHEMBL3400738,
CTK5F7365,
DTXSID20698509,
XSMYIPIZQODQQW-UHFFFAOYSA-N,
ZINC76593842,
AKOS006305538,
AB56929,
2-CHLORO-3-METHYL-3H-IMIDAZOLE-4-CARBOXYLIC ACID,
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| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.557g/mol |
| Monoisotopic Mass | 160.004g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number