| CAS Number | 157337-84-3 |
| Catalog Number | AG001PE8(AGN-PC-0WBT98) |
| Chemical Name | 2,3,4-trifluoro-6-(trifluoromethyl)benzoic Acid |
| IUPAC Name | 2,3,4-trifluoro-6-(trifluoromethyl)benzoic acid |
| InChI | InChI=1S/C8H2F6O2/c9-3-1-2(8(12,13)14)4(7(15)16)6(11)5(3)10/h1H,(H,15,16) |
| InChI Key | OLTIALGKEMEUCV-UHFFFAOYSA-N |
| MDL Number | MFCD01631432 |
| Molecular Formula | C8H2F6O2 |
| Molecular Weight | 244.0907 |
| SMILES | OC(=O)C1=C(F)C(F)=C(F)C=C1C(F)(F)F |
| Synonyms | 2,3,4-trifluoro-6-(trifluoromethyl)benzoic Acid,
157337-84-3,
AC1MCSAT,
SCHEMBL3367248,
CTK7I6287,
ZINC2382081,
ZX-AP008187,
MFCD01631432,
PC0534,
SBB099798,
AKOS017344875,
PS-10065,
Benzoic acid, 2,3,4-trifluoro-6-(trifluoromethyl)-,
CID2777994,
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| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.092g/mol |
| Monoisotopic Mass | 243.996g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number