784140-19-8
5-METHYL-1-[2'-(TRIFLUOROMETHYL)[1,1'-BIPHENYL]-3-YL]-1H-PYRAZOLE-3-CARBOXYLIC ACID
Name5-METHYL-1-[2'-(TRIFLUOROMETHYL)[1,1'-BIPHENYL]-3-YL]-1H-PYRAZOLE-3-CARBOXYLIC ACID
1Identification
【Name】
5-METHYL-1-[2'-(TRIFLUOROMETHYL)[1,1'-BIPHENYL]-3-YL]-1H-PYRAZOLE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD13195186
【English Synonyms】
【Formula】
C18 H13 F3 N2 O2
【MolWeight】
346.307
【Inchi】
InChI=1S/C18H13F3N2O2/c1-11-9-16(17(24)25)22-23(11)13-6-4-5-12(10-13)14-7-2-3-8-15(14)18(19,20)21/h2-10H,1H3,(H,24,25)
【InChIKey】
InChIKey=TWWCRDZNJYIHOL-UHFFFAOYSA-N
【SMILES】
Cc1cc(nn1c2cccc(c2)c3ccccc3C(F)(F)F)C(=O)O
【MOL File】
5-METHYL-1-[2'-(TRIF….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-METHYL-1-[2'-(TRIFLUOROMETHYL)[1,1'-BIPHENYL]-3-YL]-1H-PYRAZOLE-3-CARBOXYLIC ACID.cml