1272298-80-2
4-(3-(DIFLUOROMETHYL)-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZONITRILE
Name4-(3-(DIFLUOROMETHYL)-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZONITRILE
1Identification
【Name】
4-(3-(DIFLUOROMETHYL)-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZONITRILE
【CAS】
【MDL】
MFCD17402551
【English Synonyms】
【Formula】
C11 H7 F2 N3 O
【MolWeight】
235.192
【Inchi】
InChI=1S/C11H7F2N3O/c12-11(13)9-5-10(17)16(15-9)8-3-1-7(6-14)2-4-8/h1-4,11H,5H2
【InChIKey】
InChIKey=ONJNZGRWWPPLKF-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1C#N)N2C(=O)CC(=N2)C(F)F
【MOL File】
4-(3-(DIFLUOROMETHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(3-(DIFLUOROMETHYL)-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZONITRILE.cml