796083-75-5
3-([3,5-BIS(TRIFLUOROMETHYL)BENZENE]SULFONAMIDO)-3-(2-CHLOROPHENYL)PROPANOIC ACID
Name3-([3,5-BIS(TRIFLUOROMETHYL)BENZENE]SULFONAMIDO)-3-(2-CHLOROPHENYL)PROPANOIC ACID
FormulaC17 H12 Cl F6 N O4 S
1Identification
【Name】
3-([3,5-BIS(TRIFLUOROMETHYL)BENZENE]SULFONAMIDO)-3-(2-CHLOROPHENYL)PROPANOIC ACID
【CAS】
【MDL】
MFCD06371666
【English Synonyms】
【Formula】
C17 H12 Cl F6 N O4 S
【MolWeight】
475.792
【Inchi】
InChI=1S/C17H12ClF6NO4S/c18-13-4-2-1-3-12(13)14(8-15(26)27)25-30(28,29)11-6-9(16(19,20)21)5-10(7-11)17(22,23)24/h1-7,14,25H,8H2,(H,26,27)
【InChIKey】
InChIKey=KIANTSHVUUQFMW-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)C(CC(=O)O)NS(=O)(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)Cl
【MOL File】
3-([3,5-BIS(TRIFLUOR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-([3,5-BIS(TRIFLUOROMETHYL)BENZENE]SULFONAMIDO)-3-(2-CHLOROPHENYL)PROPANOIC ACID.cml