| CAS Number | 1079992-96-3 |
| Catalog Number | AG003AGE(AGN-PC-0WGG9R) |
| Chemical Name | 6-fluoro-2-methyl-3-nitrobenzoic acid |
| IUPAC Name | 6-fluoro-2-methyl-3-nitrobenzoic acid |
| InChI | InChI=1S/C8H6FNO4/c1-4-6(10(13)14)3-2-5(9)7(4)8(11)12/h2-3H,1H3,(H,11,12) |
| InChI Key | DEPIFWRMRCNBGQ-UHFFFAOYSA-N |
| MDL Number | MFCD28347722 |
| Molecular Formula | C8H6FNO4 |
| Molecular Weight | 199.1359 |
| SMILES | FC1=CC=C(C(=C1C(=O)O)C)[N+](=O)[O-] |
| Synonyms | 6-fluoro-2-methyl-3-nitrobenzoic acid,
1079992-96-3,
SCHEMBL543983,
DEPIFWRMRCNBGQ-UHFFFAOYSA-N,
MFCD28347722,
ZINC114060790,
CS-0038502,
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| 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 |
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Certificate of Analysis
Lot Number