| CAS Number | 1309597-24-7 |
| Catalog Number | AG01B1GD(AGN-PC-0WCN26) |
| Chemical Name | 2,6-Difluoro-4-(Trifluoromethyl)Benzoic Acid |
| IUPAC Name | 2,6-difluoro-4-(trifluoromethyl)benzoic acid |
| InChI | InChI=1S/C8H3F5O2/c9-4-1-3(8(11,12)13)2-5(10)6(4)7(14)15/h1-2H,(H,14,15) |
| InChI Key | RYWDDEGVJSAZLQ-UHFFFAOYSA-N |
| MDL Number | MFCD27975469 |
| Molecular Formula | C8H3F5O2 |
| Molecular Weight | 226.1002 |
| SMILES | O=C(O)C1=C(F)C=C(C(F)(F)F)C=C1F |
| Synonyms | 2,6-difluoro-4-(trifluoromethyl)benzoic acid,
1309597-24-7,
SCHEMBL16398808,
RYWDDEGVJSAZLQ-UHFFFAOYSA-N,
MFCD27975469,
ZINC96171645,
AKOS024263333,
PS-11290,
AS-813/43501795,
Z2168499582,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.102g/mol |
| Monoisotopic Mass | 226.005g/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