29209-23-2
2H-1,2-BENZOTHIAZINE-4-CARBOXAMIDE, N-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]-3,4-DIHYDRO-2-METHYL-3-OXO-, 1,1-DIOXIDE
Name2H-1,2-BENZOTHIAZINE-4-CARBOXAMIDE, N-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]-3,4-DIHYDRO-2-METHYL-3-OXO-, 1,1-DIOXIDE
FormulaC17 H12 F4 N2 O4 S
1Identification
【Name】
2H-1,2-BENZOTHIAZINE-4-CARBOXAMIDE, N-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]-3,4-DIHYDRO-2-METHYL-3-OXO-, 1,1-DIOXIDE
【CAS】
【MDL】
MFCD17019443
【English Synonyms】
【Formula】
C17 H12 F4 N2 O4 S
【MolWeight】
416.35
【Inchi】
InChI=1S/C17H12F4N2O4S/c1-23-16(25)14(10-4-2-3-5-13(10)28(23,26)27)15(24)22-12-8-9(17(19,20)21)6-7-11(12)18/h2-8,14H,1H3,(H,22,24)
【InChIKey】
InChIKey=OJKSDDJGQATWCE-UHFFFAOYSA-N
【SMILES】
CN1C(=O)C(c2ccccc2S1(=O)=O)C(=O)Nc3cc(ccc3F)C(F)(F)F
【MOL File】
2H-1,2-BENZOTHIAZINE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2H-1,2-BENZOTHIAZINE-4-CARBOXAMIDE, N-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]-3,4-DIHYDRO-2-METHYL-3-OXO-, 1,1-DIOXIDE.cml