632366-11-1
4-[3-(TRIFLUOROMETHYL)PHENOXY]-BENZOIC ACID
Name4-[3-(TRIFLUOROMETHYL)PHENOXY]-BENZOIC ACID
1Identification
【Name】
4-[3-(TRIFLUOROMETHYL)PHENOXY]-BENZOIC ACID
【CAS】
【MDL】
MFCD11574797
【English Synonyms】
【Formula】
C14 H9 F3 O3
【MolWeight】
282.216
【Inchi】
InChI=1S/C14H9F3O3/c15-14(16,17)10-2-1-3-12(8-10)20-11-6-4-9(5-7-11)13(18)19/h1-8H,(H,18,19)
【InChIKey】
InChIKey=LIRTURDHKVELCN-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)Oc2ccc(cc2)C(=O)O)C(F)(F)F
【MOL File】
4-[3-(TRIFLUOROMETHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[3-(TRIFLUOROMETHYL)PHENOXY]-BENZOIC ACID.cml