| CAS Number | 637347-83-2 |
| Catalog Number | AG00ELVX(AGN-PC-0I1ZMM) |
| Chemical Name | 2-Amino-4-fluoro-5-methylbenzoic acid |
| IUPAC Name | 2-amino-4-fluoro-5-methylbenzoic acid |
| InChI | InChI=1S/C8H8FNO2/c1-4-2-5(8(11)12)7(10)3-6(4)9/h2-3H,10H2,1H3,(H,11,12) |
| InChI Key | CQITUOSOSGFGOS-UHFFFAOYSA-N |
| MDL Number | MFCD20645600 |
| Molecular Formula | C8H8FNO2 |
| Molecular Weight | 169.1530 |
| SMILES | C(=O)(O)c1c(N)cc(c(c1)C)F |
| Synonyms | 2-amino-4-fluoro-5-methylbenzoic acid,
637347-83-2,
2-Amino-4-fluoro-5-methyl-benzoic acid,
Benzoic acid, 2-amino-4-fluoro-5-methyl-,
SCHEMBL3530679,
CTK1I5997,
DTXSID30738768,
CQITUOSOSGFGOS-UHFFFAOYSA-N,
ZINC90685817,
AKOS027427616,
MCULE-1062912768,
NE16666,
Z1649677760,
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| 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
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Certificate of Analysis
Lot Number