| CAS Number | 952479-96-8 |
| Catalog Number | AG019YTU(AGN-PC-09T4TM) |
| Chemical Name | 5-Fluoro-3-methyl-2-nitrobenzoic acid |
| IUPAC Name | 5-fluoro-3-methyl-2-nitrobenzoic acid |
| InChI | InChI=1S/C8H6FNO4/c1-4-2-5(9)3-6(8(11)12)7(4)10(13)14/h2-3H,1H3,(H,11,12) |
| InChI Key | WKBHDCDQVWTTJV-UHFFFAOYSA-N |
| MDL Number | MFCD22196532 |
| Molecular Formula | C8H6FNO4 |
| Molecular Weight | 199.1359 |
| SMILES | O=C(O)C1=CC(F)=CC(C)=C1[N+]([O-])=O |
| Synonyms | 5-fluoro-3-methyl-2-nitrobenzoic acid,
952479-96-8,
SCHEMBL1056321,
WKBHDCDQVWTTJV-UHFFFAOYSA-N,
ZINC71617338,
AKOS028114606,
MCULE-3079494013,
NE40201,
Z1816233862,
5-fluoro-3-methyl-2-nitrobenzoicacid,
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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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number