| CAS Number | 146948-51-8 |
| Catalog Number | AG01C39N(AGN-PC-08WAP7) |
| Chemical Name | 3-Fluoro-2-methyl-6-nitrobenzoic acid |
| IUPAC Name | 3-fluoro-2-methyl-6-nitrobenzoic acid |
| InChI | InChI=1S/C8H6FNO4/c1-4-5(9)2-3-6(10(13)14)7(4)8(11)12/h2-3H,1H3,(H,11,12) |
| InChI Key | UTLXATOUZVZCDS-UHFFFAOYSA-N |
| MDL Number | MFCD28797605 |
| Molecular Formula | C8H6FNO4 |
| Molecular Weight | 199.1359 |
| SMILES | O=C(O)C1=C([N+]([O-])=O)C=CC(F)=C1C |
| Synonyms | 146948-51-8,
SCHEMBL1448267,
UTLXATOUZVZCDS-UHFFFAOYSA-N,
ZINC116205063,
2-Methyl-3-fluoro-6-nitrobenzoic acid,
3-Fluoro-2-methyl-6-nitrobenzoic acid,
3-fluoro-2-methyl-6-nitro-benzoic acid,
|
| 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