| CAS Number | 1301214-59-4 |
| Catalog Number | AG00HS0M(AGN-PC-0WNQFF) |
| Chemical Name | Methyl 7-chloro-2-oxo-1,3-dihydro-1,3-benzodiazole-5-carboxylate |
| IUPAC Name | methyl 7-chloro-2-oxo-1,3-dihydrobenzimidazole-5-carboxylate |
| InChI | InChI=1S/C9H7ClN2O3/c1-15-8(13)4-2-5(10)7-6(3-4)11-9(14)12-7/h2-3H,1H3,(H2,11,12,14) |
| InChI Key | VUDPLHWTJYVJSR-UHFFFAOYSA-N |
| MDL Number | MFCD22561313 |
| Molecular Formula | C9H7ClN2O3 |
| Molecular Weight | 226.6165 |
| SMILES | COC(=O)c1cc(Cl)c2c(c1)[nH]c(=O)[nH]2 |
| Synonyms | 1301214-59-4,
Methyl 7-chloro-2-oxo-1,3-dihydro-1,3-benzodiazole-5-carboxylate,
SCHEMBL1758989,
VUDPLHWTJYVJSR-UHFFFAOYSA-N,
ZINC117018992,
methyl 7-chloro-2-oxo-2,3-dihydro-1H-benzo[d]imidazole-5-carboxylate,
Methyl 7-chloro-2oxo-2,3-dihydro-1H-benzo[d]imidazole-5-carboxylate,
1H-Benzimidazole-5-carboxylic acid, 7-chloro-2,3-dihydro-2-oxo-, methyl ester,
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| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.616g/mol |
| Monoisotopic Mass | 226.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number