104941-36-8
4-(2',4'-DICHLOROBIPHENYLYL)-2-METHYL-4-OXOBUTANOIC ACID
Name4-(2',4'-DICHLOROBIPHENYLYL)-2-METHYL-4-OXOBUTANOIC ACID
1Identification
【Name】
4-(2',4'-DICHLOROBIPHENYLYL)-2-METHYL-4-OXOBUTANOIC ACID
【CAS】
【MDL】
MFCD01751455
【English Synonyms】
【Formula】
C17 H14 Cl2 O3
【MolWeight】
337.201
【Inchi】
InChI=1S/C17H14Cl2O3/c1-10(17(21)22)8-16(20)12-4-2-11(3-5-12)14-7-6-13(18)9-15(14)19/h2-7,9-10H,8H2,1H3,(H,21,22)
【InChIKey】
InChIKey=WKGJVKRGKJFBTL-UHFFFAOYSA-N
【SMILES】
CC(CC(=O)c1ccc(cc1)c2ccc(cc2Cl)Cl)C(=O)O
【MOL File】
4-(2',4'-DICHLOROBIP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2',4'-DICHLOROBIPHENYLYL)-2-METHYL-4-OXOBUTANOIC ACID.cml