| CAS Number | 871254-69-2 |
| Catalog Number | AG01C94Q(AGN-PC-00B3RG) |
| Chemical Name | 2,3-Dichloro-4-(trifluoromethyl)benzoic acid
|
| IUPAC Name | 2,3-dichloro-4-(trifluoromethyl)benzoic acid |
| InChI | InChI=1S/C8H3Cl2F3O2/c9-5-3(7(14)15)1-2-4(6(5)10)8(11,12)13/h1-2H,(H,14,15) |
| InChI Key | SXZBNNYNKIHGMD-UHFFFAOYSA-N |
| MDL Number | MFCD28505055 |
| Molecular Formula | C8H3Cl2F3O2 |
| Molecular Weight | 259.0094 |
| SMILES | C(F)(F)(F)c1c(Cl)c(Cl)c(C(=O)O)cc1 |
| Synonyms | 2,3-dichloro-4-(trifluoromethyl)benzoic Acid,
871254-69-2,
ZINC96171665,
AKOS024263373,
CID11536224,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.005g/mol |
| Monoisotopic Mass | 257.946g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number