55294-75-2
1-(1-(4-CHLOROPHENYL)ETHYL)-3-METHYL-1H-PYRAZOL-5(4H)-ONE
Name1-(1-(4-CHLOROPHENYL)ETHYL)-3-METHYL-1H-PYRAZOL-5(4H)-ONE
1Identification
【Name】
1-(1-(4-CHLOROPHENYL)ETHYL)-3-METHYL-1H-PYRAZOL-5(4H)-ONE
【CAS】
【MDL】
MFCD20228316
【English Synonyms】
【Formula】
C12 H13 Cl N2 O
【MolWeight】
236.701
【Inchi】
InChI=1S/C12H13ClN2O/c1-8-7-12(16)15(14-8)9(2)10-3-5-11(13)6-4-10/h3-6,9H,7H2,1-2H3
【InChIKey】
InChIKey=JEWLFUQDWWVXNL-UHFFFAOYSA-N
【SMILES】
CC1=NN(C(=O)C1)C(C)c2ccc(cc2)Cl
【MOL File】
1-(1-(4-CHLOROPHENYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(1-(4-CHLOROPHENYL)ETHYL)-3-METHYL-1H-PYRAZOL-5(4H)-ONE.cml