| CAS Number | 1365969-71-6 |
| Catalog Number | AG01FCO4(AGN-PC-3H49NB) |
| Chemical Name | 5-Chloro-3-fluoro-2-methylbenzoic acid |
| IUPAC Name | 5-chloro-3-fluoro-2-methylbenzoic acid |
| InChI | InChI=1S/C8H6ClFO2/c1-4-6(8(11)12)2-5(9)3-7(4)10/h2-3H,1H3,(H,11,12) |
| InChI Key | LKKZEYJSTIPZNM-UHFFFAOYSA-N |
| MDL Number | MFCD21602115 |
| Molecular Formula | C8H6ClFO2 |
| Molecular Weight | 188.5834 |
| SMILES | C1(C)=C(C(O)=O)C=C(Cl)C=C1F |
| Synonyms | 5-Chloro-3-fluoro-2-methylbenzoic acid,
1365969-71-6,
SCHEMBL18765695,
ZINC79387452,
FS-6280,
|
| 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