35511-71-8
2H-1,2-BENZOTHIAZINE-3-CARBOXAMIDE, 4-HYDROXY-2-METHYL-N-(4-NITROPHENYL)-, 1,1-DIOXIDE
Name2H-1,2-BENZOTHIAZINE-3-CARBOXAMIDE, 4-HYDROXY-2-METHYL-N-(4-NITROPHENYL)-, 1,1-DIOXIDE
1Identification
【Name】
2H-1,2-BENZOTHIAZINE-3-CARBOXAMIDE, 4-HYDROXY-2-METHYL-N-(4-NITROPHENYL)-, 1,1-DIOXIDE
【CAS】
【MDL】
MFCD17015506
【English Synonyms】
【Formula】
C16 H13 N3 O6 S
【MolWeight】
375.36
【Inchi】
InChI=1S/C16H13N3O6S/c1-18-14(15(20)12-4-2-3-5-13(12)26(18,24)25)16(21)17-10-6-8-11(9-7-10)19(22)23/h2-9,20H,1H3,(H,17,21)
【InChIKey】
InChIKey=WBLYCLGFXKTHPC-UHFFFAOYSA-N
【SMILES】
CN1C(=C(c2ccccc2S1(=O)=O)O)C(=O)Nc3ccc(cc3)N(=O)=O
【MOL File】
2H-1,2-BENZOTHIAZINE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2H-1,2-BENZOTHIAZINE-3-CARBOXAMIDE, 4-HYDROXY-2-METHYL-N-(4-NITROPHENYL)-, 1,1-DIOXIDE.cml