926240-92-8
(2Z)-2-CYANO-3-(1-(2-CYANOETHYL)-3-[3-(DIFLUOROMETHOXY)PHENYL]-1H-PYRAZOL-4-YL)ACRYLIC ACID
Name(2Z)-2-CYANO-3-(1-(2-CYANOETHYL)-3-[3-(DIFLUOROMETHOXY)PHENYL]-1H-PYRAZOL-4-YL)ACRYLIC ACID
1Identification
【Name】
(2Z)-2-CYANO-3-(1-(2-CYANOETHYL)-3-[3-(DIFLUOROMETHOXY)PHENYL]-1H-PYRAZOL-4-YL)ACRYLIC ACID
【CAS】
【MDL】
MFCD06358047
【English Synonyms】
【Formula】
C17 H12 F2 N4 O3
【MolWeight】
358.303
【Inchi】
InChI=1S/C17H12F2N4O3/c18-17(19)26-14-4-1-3-11(8-14)15-13(7-12(9-21)16(24)25)10-23(22-15)6-2-5-20/h1,3-4,7-8,10,17H,2,6H2,(H,24,25)/b12-7-
【InChIKey】
InChIKey=IODDETYBSFVFMW-GHXNOFRVSA-N
【SMILES】
c1cc(cc(c1)OC(F)F)c2c(cn(n2)CCC#N)/C=C(/C#N)\C(=O)O
【MOL File】
(2Z)-2-CYANO-3-(1-(2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(2Z)-2-CYANO-3-(1-(2-CYANOETHYL)-3-[3-(DIFLUOROMETHOXY)PHENYL]-1H-PYRAZOL-4-YL)ACRYLIC ACID.cml