| CAS Number | 1250810-28-6 |
| Catalog Number | AG009K28(AGN-PC-0WNOTV) |
| Chemical Name | 2-Amino-5-fluoro-3-methoxy-benzoic acid |
| IUPAC Name | 2-amino-5-fluoro-3-methoxybenzoic acid |
| InChI | InChI=1S/C8H8FNO3/c1-13-6-3-4(9)2-5(7(6)10)8(11)12/h2-3H,10H2,1H3,(H,11,12) |
| InChI Key | WCQCRQDEAFXOES-UHFFFAOYSA-N |
| MDL Number | MFCD14683484 |
| Molecular Formula | C8H8FNO3 |
| Molecular Weight | 185.1524 |
| SMILES | COC1=CC(F)=CC(C(O)=O)=C1N |
| Synonyms | 2-Amino-5-fluoro-3-methoxy-benzoic acid,
2-amino-5-fluoro-3-methoxybenzoic acid,
1250810-28-6,
SCHEMBL15845849,
ZINC49569150,
AKOS008149820,
MCULE-7589617333,
NE62049,
Benzoic acid, 2-amino-5-fluoro-3-methoxy-,
EN300-83433,
|
| 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
Certificate of Analysis
Lot Number