4345-49-7
3,5-DIMETHYL-4-PHENYL-1H-PYRAZOLE
Name3,5-DIMETHYL-4-PHENYL-1H-PYRAZOLE
1Identification
【Name】
3,5-DIMETHYL-4-PHENYL-1H-PYRAZOLE
【CAS】
【MDL】
MFCD00159662
【English Synonyms】
【Formula】
C11 H12 N2
【MolWeight】
172.23
【Inchi】
InChI=1S/C11H12N2/c1-8-11(9(2)13-12-8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,12,13)
【InChIKey】
InChIKey=ZKTZVPARPDWOAO-UHFFFAOYSA-N
【SMILES】
Cc1c(c(n[nH]1)C)c2ccccc2
【MOL File】
3,5-DIMETHYL-4-PHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,5-DIMETHYL-4-PHENYL-1H-PYRAZOLE.cml