| CAS Number | 402714-65-2 |
| Catalog Number | AG00BZ30(AGN-PC-0WBODZ) |
| Chemical Name | 2-[4-(trifluoromethyl)phenoxy]benzoic Acid |
| IUPAC Name | 2-[4-(trifluoromethyl)phenoxy]benzoic acid |
| InChI | InChI=1S/C14H9F3O3/c15-14(16,17)9-5-7-10(8-6-9)20-12-4-2-1-3-11(12)13(18)19/h1-8H,(H,18,19) |
| InChI Key | JGAFZZORINPDFU-UHFFFAOYSA-N |
| MDL Number | MFCD03840026 |
| Molecular Formula | C14H9F3O3 |
| Molecular Weight | 282.2147 |
| SMILES | OC(=O)C1=CC=CC=C1OC1=CC=C(C=C1)C(F)(F)F |
| Synonyms | 2-[4-(trifluoromethyl)phenoxy]benzoic Acid,
402714-65-2,
AC1MW1DZ,
SCHEMBL9138387,
CTK7I9041,
DTXSID40395124,
2PBD-Q07-0,
ZINC2513071,
4954AH,
AR1187,
MFCD03840026,
AKOS011515038,
2-(4-Trifluoromethylphenoxy)benzoic acid,
AS-45051,
2-(4-Trifluoromethyl-phenoxy)-benzoic acid,
X-1420,
C14H9F3O3,
CID3692283,
|
| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.218g/mol |
| Monoisotopic Mass | 282.05g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number