784140-81-4
1-[4-FLUORO-2'-(TRIFLUOROMETHOXY)[1,1'-BIPHENYL]-3-YL]-5-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
Name1-[4-FLUORO-2'-(TRIFLUOROMETHOXY)[1,1'-BIPHENYL]-3-YL]-5-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
1Identification
【Name】
1-[4-FLUORO-2'-(TRIFLUOROMETHOXY)[1,1'-BIPHENYL]-3-YL]-5-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD13195187
【English Synonyms】
【Formula】
C18 H12 F4 N2 O3
【MolWeight】
380.296
【Inchi】
InChI=1S/C18H12F4N2O3/c1-10-8-15(17(25)26)23-24(10)11-6-7-14(19)13(9-11)12-4-2-3-5-16(12)27-18(20,21)22/h2-9H,1H3,(H,25,26)
【InChIKey】
InChIKey=CYCMQXJLFPXSMA-UHFFFAOYSA-N
【SMILES】
Cc1cc(nn1c2ccc(c(c2)c3ccccc3OC(F)(F)F)F)C(=O)O
【MOL File】
1-[4-FLUORO-2'-(TRIF….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-[4-FLUORO-2'-(TRIFLUOROMETHOXY)[1,1'-BIPHENYL]-3-YL]-5-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID.cml