505082-84-8
4-(2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL)BENZOIC ACID
Name4-(2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL)BENZOIC ACID
1Identification
【Name】
4-(2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL)BENZOIC ACID
【CAS】
【MDL】
MFCD18969307
【English Synonyms】
【Formula】
C14 H8 Cl F3 O2
【MolWeight】
300.662
【Inchi】
InChI=1S/C14H8ClF3O2/c15-12-6-5-10(14(16,17)18)7-11(12)8-1-3-9(4-2-8)13(19)20/h1-7H,(H,19,20)
【InChIKey】
InChIKey=OPTVEOGEPSMNOQ-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1c2cc(ccc2Cl)C(F)(F)F)C(=O)O
【MOL File】
4-(2-CHLORO-5-(TRIFL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL)BENZOIC ACID.cml