| CAS Number | 1519287-58-1 |
| Catalog Number | AG01A07F |
| Chemical Name | 2-Fluoro-3-methyl-5-nitrobenzoic acid |
| IUPAC Name | 2-fluoro-3-methyl-5-nitrobenzoic acid |
| InChI | InChI=1S/C8H6FNO4/c1-4-2-5(10(13)14)3-6(7(4)9)8(11)12/h2-3H,1H3,(H,11,12) |
| InChI Key | UJGNESLMRSWBKR-UHFFFAOYSA-N |
| MDL Number | MFCD23973083 |
| Molecular Formula | C8H6FNO4 |
| Molecular Weight | 199.1359 |
| SMILES | CC1=CC(=CC(=C1F)C(=O)O)[N+](=O)[O-] |
| Synonyms | 2-fluoro-3-methyl-5-nitrobenzoic acid,
1519287-58-1,
ZINC87780935,
AKOS019268895,
NE17098,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.137g/mol |
| Monoisotopic Mass | 199.028g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number