58376-74-2
1-(2-CHLORO-4,6-DIMETHYLPHENYL)-3-METHYL-1H-PYRAZOL-5(4H)-ONE
Name1-(2-CHLORO-4,6-DIMETHYLPHENYL)-3-METHYL-1H-PYRAZOL-5(4H)-ONE
1Identification
【Name】
1-(2-CHLORO-4,6-DIMETHYLPHENYL)-3-METHYL-1H-PYRAZOL-5(4H)-ONE
【CAS】
【MDL】
MFCD20229992
【English Synonyms】
【Formula】
C12 H13 Cl N2 O
【MolWeight】
236.701
【Inchi】
InChI=1S/C12H13ClN2O/c1-7-4-8(2)12(10(13)5-7)15-11(16)6-9(3)14-15/h4-5H,6H2,1-3H3
【InChIKey】
InChIKey=YGKFKFPYPLZQSG-UHFFFAOYSA-N
【SMILES】
Cc1cc(c(c(c1)Cl)N2C(=O)CC(=N2)C)C
【MOL File】
1-(2-CHLORO-4,6-DIME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-CHLORO-4,6-DIMETHYLPHENYL)-3-METHYL-1H-PYRAZOL-5(4H)-ONE.cml