| CAS Number | 202822-76-2 |
| Catalog Number | AG01DHCC(AGN-PC-0O78LR) |
| Chemical Name | Methyl 4-(acetylmethylamino)-5-chloro-2-methoxybenzoate |
| IUPAC Name | methyl 4-[acetyl(methyl)amino]-5-chloro-2-methoxybenzoate |
| InChI | InChI=1S/C12H14ClNO4/c1-7(15)14(2)10-6-11(17-3)8(5-9(10)13)12(16)18-4/h5-6H,1-4H3 |
| InChI Key | YRZPGSKPISOLPU-UHFFFAOYSA-N |
| MDL Number | MFCD31802700 |
| Molecular Formula | C12H14ClNO4 |
| Molecular Weight | 271.6969 |
| SMILES | C(C)(=O)CNC1=CC(=C(C(=O)OC)C=C1Cl)OC |
| Synonyms | 202822-76-2,
Methyl 5-chloro-2-methoxy-4-(N-methylacetamido)benzoate,
AKOS030627075,
Methyl 4-(acetylmethylamino)-5-chloro-2-methoxybenzoate,
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| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.697g/mol |
| Monoisotopic Mass | 271.061g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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