| CAS Number | 874804-25-8 |
| Catalog Number | AG01A7RF(AGN-PC-0WON7R) |
| Chemical Name | 2-Amino-5-fluoro-3-methylbenzoic acid |
| IUPAC Name | 2-amino-5-fluoro-3-methylbenzoic acid |
| InChI | InChI=1S/C8H8FNO2/c1-4-2-5(9)3-6(7(4)10)8(11)12/h2-3H,10H2,1H3,(H,11,12) |
| InChI Key | MSZAAINDDMYZQK-UHFFFAOYSA-N |
| MDL Number | MFCD06409107 |
| Molecular Formula | C8H8FNO2 |
| Molecular Weight | 169.1530 |
| SMILES | O=C(O)C1=CC(F)=CC(C)=C1N |
| Synonyms | 2-amino-5-fluoro-3-methylbenzoic acid,
874804-25-8,
AC1Q2FIQ,
SCHEMBL15636696,
CTK7B7983,
MSZAAINDDMYZQK-UHFFFAOYSA-N,
ZINC20475954,
AKOS009259999,
MCULE-6503480975,
NE24126,
2-amino-5-fluoro-3-methyl-benzoic acid,
EN300-59603,
2-amino-5-fluoro-3-methylbenzoic acid, AldrichCPR,
Z951367936,
2-Amino-5-fluoro-3-methylbenzoicacid,
|
| 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