537713-19-2
5-METHYL-2-(4-TRIFLUOROMETHYLPHENYL)BENZOIC ACID
Name5-METHYL-2-(4-TRIFLUOROMETHYLPHENYL)BENZOIC ACID
1Identification
【Name】
5-METHYL-2-(4-TRIFLUOROMETHYLPHENYL)BENZOIC ACID
【CAS】
【MDL】
MFCD18321780
【English Synonyms】
【Formula】
C15 H11 F3 O2
【MolWeight】
280.244
【Inchi】
InChI=1S/C15H11F3O2/c1-9-2-7-12(13(8-9)14(19)20)10-3-5-11(6-4-10)15(16,17)18/h2-8H,1H3,(H,19,20)
【InChIKey】
InChIKey=VYCHWYJJKCWLME-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)C(=O)O)c2ccc(cc2)C(F)(F)F
【MOL File】
5-METHYL-2-(4-TRIFLU….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-METHYL-2-(4-TRIFLUOROMETHYLPHENYL)BENZOIC ACID.cml