58844-70-5
2-((3-(TRIFLUOROMETHYL)PHENYL)SULFINYL)BENZOIC ACID
Name2-((3-(TRIFLUOROMETHYL)PHENYL)SULFINYL)BENZOIC ACID
1Identification
【Name】
2-((3-(TRIFLUOROMETHYL)PHENYL)SULFINYL)BENZOIC ACID
【CAS】
【MDL】
MFCD01661994
【English Synonyms】
【Formula】
C14 H9 F3 O3 S
【MolWeight】
314.282
【Inchi】
InChI=1S/C14H9F3O3S/c15-14(16,17)9-4-3-5-10(8-9)21(20)12-7-2-1-6-11(12)13(18)19/h1-8H,(H,18,19)
【InChIKey】
InChIKey=TWLUUCVHAKXBJU-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)C(=O)O)S(=O)c2cccc(c2)C(F)(F)F
【MOL File】
2-((3-(TRIFLUOROMETH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-((3-(TRIFLUOROMETHYL)PHENYL)SULFINYL)BENZOIC ACID.cml