587-57-5
N-(3,5-BIS(TRIFLUOROMETHYL)PHENYL) 4-NITROBENZENESULFONAMIDE
NameN-(3,5-BIS(TRIFLUOROMETHYL)PHENYL) 4-NITROBENZENESULFONAMIDE
1Identification
【Name】
N-(3,5-BIS(TRIFLUOROMETHYL)PHENYL) 4-NITROBENZENESULFONAMIDE
【CAS】
【MDL】
MFCD04069967
【English Synonyms】
【Formula】
C14 H8 F6 N2 O4 S
【MolWeight】
414.281
【Inchi】
InChI=1S/C14H8F6N2O4S/c15-13(16,17)8-5-9(14(18,19)20)7-10(6-8)21-27(25,26)12-3-1-11(2-4-12)22(23)24/h1-7,21H
【InChIKey】
InChIKey=RLKYXKSPNGXWJV-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1[N+](=O)[O-])S(=O)(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F
【MOL File】
N-(3,5-BIS(TRIFLUORO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(3,5-BIS(TRIFLUOROMETHYL)PHENYL) 4-NITROBENZENESULFONAMIDE.cml