| CAS Number | 1184351-57-2 |
| Catalog Number | AG0096YQ |
| Chemical Name | 2-Amino-3-chloro-5-fluoro-benzoic acid methyl ester |
| IUPAC Name | methyl 2-amino-3-chloro-5-fluorobenzoate |
| InChI | InChI=1S/C8H7ClFNO2/c1-13-8(12)5-2-4(10)3-6(9)7(5)11/h2-3H,11H2,1H3 |
| InChI Key | SAQZTAVYMGQRAY-UHFFFAOYSA-N |
| MDL Number | MFCD12159877 |
| Molecular Formula | C8H7ClFNO2 |
| Molecular Weight | 203.5981 |
| SMILES | COC(=O)c1cc(F)cc(c1N)Cl |
| Synonyms | methyl 2-amino-3-chloro-5-fluorobenzoate,
1184351-57-2,
MFCD12159877,
ZINC37475425,
CS-0061804,
2-Amino-3-chloro-5-fluoro-benzoic acid methyl ester,
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| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.597g/mol |
| Monoisotopic Mass | 203.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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