637042-30-9
2-(2-METHYL-6-(TRIFLUOROMETHOXY)-1H-INDOL-3-YLTHIO)BENZOIC ACID
Name2-(2-METHYL-6-(TRIFLUOROMETHOXY)-1H-INDOL-3-YLTHIO)BENZOIC ACID
1Identification
【Name】
2-(2-METHYL-6-(TRIFLUOROMETHOXY)-1H-INDOL-3-YLTHIO)BENZOIC ACID
【CAS】
【MDL】
MFCD14156084
【English Synonyms】
【Formula】
C17 H12 F3 N O3 S
【MolWeight】
367.346
【Inchi】
InChI=1S/C17H12F3NO3S/c1-9-15(25-14-5-3-2-4-12(14)16(22)23)11-7-6-10(8-13(11)21-9)24-17(18,19)20/h2-8,21H,1H3,(H,22,23)
【InChIKey】
InChIKey=WYVLCXZKNOMSEX-UHFFFAOYSA-N
【SMILES】
Cc1c(c2ccc(cc2[nH]1)OC(F)(F)F)Sc3ccccc3C(=O)O
【MOL File】
2-(2-METHYL-6-(TRIFL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2-METHYL-6-(TRIFLUOROMETHOXY)-1H-INDOL-3-YLTHIO)BENZOIC ACID.cml