51294-74-7
4-ETHYNYL-3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE
Name4-ETHYNYL-3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE
1Identification
【Name】
4-ETHYNYL-3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE
【CAS】
【MDL】
MFCD08703573
【English Synonyms】
【Formula】
C13 H12 N2
【MolWeight】
196.252
【Inchi】
InChI=1S/C13H12N2/c1-4-13-10(2)14-15(11(13)3)12-8-6-5-7-9-12/h1,5-9H,2-3H3
【InChIKey】
InChIKey=SHCTVSAEFNONEH-UHFFFAOYSA-N
【SMILES】
Cc1c(c(n(n1)c2ccccc2)C)C#C
【MOL File】
4-ETHYNYL-3,5-DIMETH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-ETHYNYL-3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE.cml