| CAS Number | 1427413-83-9 |
| Catalog Number | AG01FR56(AGN-PC-3H5PGO) |
| Chemical Name | 4-Amino-2-chloro-5-fluoro-benzoic acid methyl ester |
| IUPAC Name | methyl 4-amino-2-chloro-5-fluorobenzoate |
| InChI | InChI=1S/C8H7ClFNO2/c1-13-8(12)4-2-6(10)7(11)3-5(4)9/h2-3H,11H2,1H3 |
| InChI Key | ZMJAVSHQQUKUPV-UHFFFAOYSA-N |
| MDL Number | MFCD23707469 |
| Molecular Formula | C8H7ClFNO2 |
| Molecular Weight | 203.5981 |
| SMILES | COC(C1=CC(F)=C(C=C1Cl)N)=O |
| Synonyms | 4-Amino-2-chloro-5-fluoro-benzoic acid methyl ester,
1427413-83-9,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.014934g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.6g/mol |
| Monoisotopic Mass | 203.014934g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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