784140-87-0
1-[2',3'-BIS(TRIFLUOROMETHYL)[1,1'-BIPHENYL]-3-YL]-5-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
Name1-[2',3'-BIS(TRIFLUOROMETHYL)[1,1'-BIPHENYL]-3-YL]-5-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
1Identification
【Name】
1-[2',3'-BIS(TRIFLUOROMETHYL)[1,1'-BIPHENYL]-3-YL]-5-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD13195191
【English Synonyms】
【Formula】
C19 H12 F6 N2 O2
【MolWeight】
414.304
【Inchi】
InChI=1S/C19H12F6N2O2/c1-10-8-15(17(28)29)26-27(10)12-5-2-4-11(9-12)13-6-3-7-14(18(20,21)22)16(13)19(23,24)25/h2-9H,1H3,(H,28,29)
【InChIKey】
InChIKey=NZFOQCXQMZWJDU-UHFFFAOYSA-N
【SMILES】
Cc1cc(nn1c2cccc(c2)c3cccc(c3C(F)(F)F)C(F)(F)F)C(=O)O
【MOL File】
1-[2',3'-BIS(TRIFLUO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-[2',3'-BIS(TRIFLUOROMETHYL)[1,1'-BIPHENYL]-3-YL]-5-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID.cml