| CAS Number | 1248597-55-8 |
| Catalog Number | AG01B670 |
| Chemical Name | 3-Fluoro-4-(methylamino)benzoic acid |
| IUPAC Name | 3-fluoro-4-(methylamino)benzoic acid |
| InChI | InChI=1S/C8H8FNO2/c1-10-7-3-2-5(8(11)12)4-6(7)9/h2-4,10H,1H3,(H,11,12) |
| InChI Key | UUJKFXUZGUHXSO-UHFFFAOYSA-N |
| MDL Number | MFCD16852536 |
| Molecular Formula | C8H8FNO2 |
| Molecular Weight | 169.1530 |
| SMILES | CNC1=C(F)C=C(C(O)=O)C=C1 |
| Synonyms | 3-fluoro-4-(methylamino)benzoic acid,
1248597-55-8,
SCHEMBL6987179,
ZINC54527151,
AKOS012003152,
Z2574360289,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.155g/mol |
| Monoisotopic Mass | 169.054g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number