| CAS Number | 1113049-61-8 |
| Catalog Number | AG007AYM(AGN-PC-0WAJIJ) |
| Chemical Name | 2-Amino-4-fluoro-5-hydroxybenzoic acid methyl ester |
| IUPAC Name | methyl 2-amino-4-fluoro-5-hydroxybenzoate |
| InChI | InChI=1S/C8H8FNO3/c1-13-8(12)4-2-7(11)5(9)3-6(4)10/h2-3,11H,10H2,1H3 |
| InChI Key | FSUONMUAAVMIJC-UHFFFAOYSA-N |
| MDL Number | MFCD16159183 |
| Molecular Formula | C8H8FNO3 |
| Molecular Weight | 185.1524 |
| SMILES | O=C(OC)C1=CC(O)=C(F)C=C1N |
| Synonyms | METHYL 2-AMINO-4-FLUORO-5-HYDROXYBENZOATE,
1113049-61-8,
2-Amino-4-fluoro-5-hydroxybenzoic acid methyl ester,
2-AMino-4-fluoro-5-hydroxy-benzoic acid Methyl ester,
Benzoic acid, 2-amino-4-fluoro-5-hydroxy-, methyl ester,
SCHEMBL12303359,
CTK4A7296,
DTXSID60718836,
FSUONMUAAVMIJC-UHFFFAOYSA-N,
MFCD16159183,
ZINC50035187,
AKOS011269887,
AS-42405,
TR-034053,
Z3232,
Z2235681412,
C8H8FNO3,
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| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.154g/mol |
| Monoisotopic Mass | 185.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number