874801-39-5
2-THIOPHENECARBOXYLIC ACID, 5-(2,4-DIFLUOROPHENYL), METHYL ESTER
Name2-THIOPHENECARBOXYLIC ACID, 5-(2,4-DIFLUOROPHENYL), METHYL ESTER
1Identification
【Name】
2-THIOPHENECARBOXYLIC ACID, 5-(2,4-DIFLUOROPHENYL), METHYL ESTER
【CAS】
【MDL】
MFCD05664901
【English Synonyms】
【Formula】
C12 H8 F2 O2 S
【MolWeight】
254.255
【Inchi】
InChI=1S/C12H8F2O2S/c1-16-12(15)11-5-4-10(17-11)8-3-2-7(13)6-9(8)14/h2-6H,1H3
【InChIKey】
InChIKey=KLWPVXCMBRHMRA-UHFFFAOYSA-N
【SMILES】
COC(=O)c1ccc(s1)c2ccc(cc2F)F
【MOL File】
2-THIOPHENECARBOXYLI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-THIOPHENECARBOXYLIC ACID, 5-(2,4-DIFLUOROPHENYL), METHYL ESTER.cml