682786-18-1
N-(3-TRIFLUOROMETHYLPHENYL)SULFONYL(4-IODO)ANILINE
NameN-(3-TRIFLUOROMETHYLPHENYL)SULFONYL(4-IODO)ANILINE
FormulaC13 H9 F3 I N O2 S
1Identification
【Name】
N-(3-TRIFLUOROMETHYLPHENYL)SULFONYL(4-IODO)ANILINE
【CAS】
【MDL】
MFCD03040182
【English Synonyms】
【Formula】
C13 H9 F3 I N O2 S
【MolWeight】
427.179
【Inchi】
InChI=1S/C13H9F3INO2S/c14-13(15,16)9-2-1-3-12(8-9)21(19,20)18-11-6-4-10(17)5-7-11/h1-8,18H
【InChIKey】
InChIKey=FAVSRZDICPXYNR-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)S(=O)(=O)Nc2ccc(cc2)I)C(F)(F)F
【MOL File】
N-(3-TRIFLUOROMETHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(3-TRIFLUOROMETHYLPHENYL)SULFONYL(4-IODO)ANILINE.cml