| CAS Number | 1108666-12-1 |
| Catalog Number | AG01C1KP |
| Chemical Name | 6-amino-3-fluoro-2-methylbenzoic acid |
| IUPAC Name | 6-amino-3-fluoro-2-methylbenzoic acid |
| InChI | InChI=1S/C8H8FNO2/c1-4-5(9)2-3-6(10)7(4)8(11)12/h2-3H,10H2,1H3,(H,11,12) |
| InChI Key | ISXJYNZLKZTCQE-UHFFFAOYSA-N |
| MDL Number | MFCD29906786 |
| Molecular Formula | C8H8FNO2 |
| Molecular Weight | 169.1530 |
| SMILES | CC1=C(C(O)=O)C(N)=CC=C1F |
| Synonyms | 6-amino-3-fluoro-2-methylbenzoic acid,
1108666-12-1,
SCHEMBL15352673,
ISXJYNZLKZTCQE-UHFFFAOYSA-N,
AKOS033901469,
ZINC142206746,
6-amino-3-fluoro-2-methyl benzoic acid,
Z2412196506,
|
| Complexity | 186 |
| 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 | 1 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number