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128408-82-2 | 2H-1,2-Benzothiazin-3-amine, 7-nitro-, 1,1-dioxide
CAS No: 128408-82-2 Catalog No: AG000Y1T MDL No:
Product Description
Catalog Number:
AG000Y1T
Chemical Name:
2H-1,2-Benzothiazin-3-amine, 7-nitro-, 1,1-dioxide
CAS Number:
128408-82-2
Molecular Formula:
C8H7N3O4S
Molecular Weight:
241.2239
IUPAC Name:
7-nitro-1,1-dioxo-2H-1λ6,2-benzothiazin-3-amine
InChI:
InChI=1S/C8H7N3O4S/c9-8-3-5-1-2-6(11(12)13)4-7(5)16(14,15)10-8/h1-4,10H,9H2
InChI Key:
WALMZRBCDRHJCJ-UHFFFAOYSA-N
SMILES:
NC1=Cc2ccc(cc2S(=O)(=O)N1)[N+](=O)[O-]
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.016g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.221g/mol
Monoisotopic Mass:
241.016g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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