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Home > Nitro Compounds > 1193387-98-2
1193387-98-2 | 2H-1,4-Benzothiazine, 3,4-dihydro-6-nitro-
CAS No: 1193387-98-2 Catalog No: AG000ILV MDL No:MFCD12912765
Product Description
Catalog Number:
AG000ILV
Chemical Name:
2H-1,4-Benzothiazine, 3,4-dihydro-6-nitro-
CAS Number:
1193387-98-2
Molecular Formula:
C8H8N2O2S
Molecular Weight:
196.2263
MDL Number:
MFCD12912765
IUPAC Name:
6-nitro-3,4-dihydro-2H-1,4-benzothiazine
InChI:
InChI=1S/C8H8N2O2S/c11-10(12)6-1-2-8-7(5-6)9-3-4-13-8/h1-2,5,9H,3-4H2
InChI Key:
VZTWUNMNDBPKKX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)NCCS2
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.224g/mol
Monoisotopic Mass:
196.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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