146137-92-0
5-TRIFLUOROMETHYL-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
Name5-TRIFLUOROMETHYL-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
pro_formulaC11 H7 F3 O2 S
1Identification
【Name】
5-TRIFLUOROMETHYL-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD03012932
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C11 H7 F3 O2 S
【pro_molWeight】
260.234
【Inchi】
InChI=1S/C11H7F3O2S/c1-16-10(15)9-5-6-4-7(11(12,13)14)2-3-8(6)17-9/h2-5H,1H3
【InChIKey】
InChIKey=JWHOGTDVUZFYNO-UHFFFAOYSA-N
【SMILES】
COC(=O)c1cc2cc(ccc2s1)C(F)(F)F
【MOL File】
5-TRIFLUOROMETHYL-BE….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:2
XLogP3:3.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
5-TRIFLUOROMETHYL-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER.cml