826995-55-5
4-(TRIFLUOROMETHYL)-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID
Name4-(TRIFLUOROMETHYL)-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID
1Identification
【Name】
4-(TRIFLUOROMETHYL)-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD09027109
【English Synonyms】
【Formula】
C10 H5 F3 O2 S
【MolWeight】
246.208
【Inchi】
InChI=1S/C10H5F3O2S/c11-10(12,13)6-2-1-3-7-5(6)4-8(16-7)9(14)15/h1-4H,(H,14,15)
【InChIKey】
InChIKey=BVVNCWBGCFGVAU-UHFFFAOYSA-N
【SMILES】
c1cc(c2cc(sc2c1)C(=O)O)C(F)(F)F
【MOL File】
4-(TRIFLUOROMETHYL)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
4-(TRIFLUOROMETHYL)-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID.cml