| CAS Number | 1427416-06-5 |
| Catalog Number | AG01BFYX |
| Chemical Name | 3-Chloro-2-fluoro-4-methylbenzoic acid |
| IUPAC Name | 3-chloro-2-fluoro-4-methylbenzoic acid |
| InChI | InChI=1S/C8H6ClFO2/c1-4-2-3-5(8(11)12)7(10)6(4)9/h2-3H,1H3,(H,11,12) |
| InChI Key | GPXXOGYQCNEOTN-UHFFFAOYSA-N |
| MDL Number | MFCD23712064 |
| Molecular Formula | C8H6ClFO2 |
| Molecular Weight | 188.5834 |
| SMILES | c1(ccc(c(c1F)Cl)C)C(=O)O |
| Synonyms | 3-chloro-2-fluoro-4-methylbenzoic acid,
1427416-06-5,
ZINC98209960,
AKOS030756444,
NE28596,
Z1913661185,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.582g/mol |
| Monoisotopic Mass | 188.004g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number