42288-16-4
3-(4-CHLOROPHENYL)-3-METHYL-BUTANOIC ACID
Name3-(4-CHLOROPHENYL)-3-METHYL-BUTANOIC ACID
1Identification
【Name】
3-(4-CHLOROPHENYL)-3-METHYL-BUTANOIC ACID
【CAS】
【MDL】
MFCD00672909
【English Synonyms】
【Formula】
C11 H13 Cl O2
【MolWeight】
212.675
【Inchi】
InChI=1S/C11H13ClO2/c1-11(2,7-10(13)14)8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3,(H,13,14)
【InChIKey】
InChIKey=GLJZKNOAPGCBHC-UHFFFAOYSA-N
【SMILES】
CC(C)(CC(=O)O)c1ccc(cc1)Cl
【MOL File】
3-(4-CHLOROPHENYL)-3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(4-CHLOROPHENYL)-3-METHYL-BUTANOIC ACID.cml