57196-63-1
2-CHLORO-1-(2,3,4,5,6-PENTAMETHYLPHENYL)ETHAN-1-ONE
Name2-CHLORO-1-(2,3,4,5,6-PENTAMETHYLPHENYL)ETHAN-1-ONE
1Identification
【Name】
2-CHLORO-1-(2,3,4,5,6-PENTAMETHYLPHENYL)ETHAN-1-ONE
【CAS】
【MDL】
MFCD00117891
【English Synonyms】
【Formula】
C13 H17 Cl O
【MolWeight】
224.729
【Inchi】
InChI=1S/C13H17ClO/c1-7-8(2)10(4)13(12(15)6-14)11(5)9(7)3/h6H2,1-5H3
【InChIKey】
InChIKey=SPPLVERXFNZFAP-UHFFFAOYSA-N
【SMILES】
Cc1c(c(c(c(c1C)C)C(=O)CCl)C)C
【MOL File】
2-CHLORO-1-(2,3,4,5,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-CHLORO-1-(2,3,4,5,6-PENTAMETHYLPHENYL)ETHAN-1-ONE.cml