950604-93-0
3-FLUORO-A,A-DIMETHYL-5-(TRIFLUOROMETHYL)-2-THIOPHENEACETIC ACID
Name3-FLUORO-A,A-DIMETHYL-5-(TRIFLUOROMETHYL)-2-THIOPHENEACETIC ACID
1Identification
【Name】
3-FLUORO-A,A-DIMETHYL-5-(TRIFLUOROMETHYL)-2-THIOPHENEACETIC ACID
【CAS】
【MDL】
MFCD17215154
【English Synonyms】
【Formula】
C9 H8 F4 O2 S
【MolWeight】
256.218
【Inchi】
InChI=1S/C9H8F4O2S/c1-8(2,7(14)15)6-4(10)3-5(16-6)9(11,12)13/h3H,1-2H3,(H,14,15)
【InChIKey】
InChIKey=WKNJUWBQDUFBND-UHFFFAOYSA-N
【SMILES】
CC(C)(c1c(cc(s1)C(F)(F)F)F)C(=O)O
【MOL File】
3-FLUORO-A,A-DIMETHY….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-FLUORO-A,A-DIMETHYL-5-(TRIFLUOROMETHYL)-2-THIOPHENEACETIC ACID.cml