| CAS Number | 1363380-91-9 |
| Catalog Number | AG00HUJC(AGN-PC-0WCKVF) |
| Chemical Name | 2-Amino-5-fluoro-4-methoxybenzoic acid |
| IUPAC Name | 2-amino-5-fluoro-4-methoxybenzoic acid |
| InChI | InChI=1S/C8H8FNO3/c1-13-7-3-6(10)4(8(11)12)2-5(7)9/h2-3H,10H2,1H3,(H,11,12) |
| InChI Key | NKAKHMMHWPAUDK-UHFFFAOYSA-N |
| MDL Number | MFCD23105873 |
| Molecular Formula | C8H8FNO3 |
| Molecular Weight | 185.1524 |
| SMILES | COc1cc(c(cc1F)C(=O)O)N |
| Synonyms | 2-amino-5-fluoro-4-methoxybenzoic acid,
1363380-91-9,
SCHEMBL19554326,
ZINC95743036,
AKOS025403518,
PB36061,
SB20424,
CS-0057475,
Q-3757,
|
| 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