| CAS Number | 1376760-14-3 |
| Catalog Number | AG01BHAB |
| Chemical Name | 6-Chloro-3-fluoro-2-methylbenzoic acid |
| IUPAC Name | 6-chloro-3-fluoro-2-methylbenzoic acid |
| InChI | InChI=1S/C8H6ClFO2/c1-4-6(10)3-2-5(9)7(4)8(11)12/h2-3H,1H3,(H,11,12) |
| InChI Key | VGWHHHAMDCAJNQ-UHFFFAOYSA-N |
| MDL Number | MFCD23712082 |
| Molecular Formula | C8H6ClFO2 |
| Molecular Weight | 188.5834 |
| SMILES | CC1=C(C(O)=O)C(Cl)=CC=C1F |
| Synonyms | 6-chloro-3-fluoro-2-methylbenzoic acid,
1376760-14-3,
SCHEMBL3706794,
VGWHHHAMDCAJNQ-UHFFFAOYSA-N,
ZINC167047210,
|
| 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