| CAS Number | 1025127-44-9 |
| Catalog Number | AG01C05R |
| Chemical Name | 3-Amino-5-fluoro-4-hydroxybenzoic acid |
| IUPAC Name | 3-amino-5-fluoro-4-hydroxybenzoic acid |
| InChI | InChI=1S/C7H6FNO3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,9H2,(H,11,12) |
| InChI Key | FUBMTLHCGKDQKO-UHFFFAOYSA-N |
| MDL Number | MFCD28519246 |
| Molecular Formula | C7H6FNO3 |
| Molecular Weight | 171.1258 |
| SMILES | NC1=C(O)C(F)=CC(C(O)=O)=C1 |
| Synonyms | 3-amino-5-fluoro-4-hydroxybenzoic acid,
1025127-44-9,
SCHEMBL10316072,
AKOS024055409,
ZINC142500603,
Z2719327202,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.127g/mol |
| Monoisotopic Mass | 171.033g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 83.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number