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Home > Nitro Compounds > 89403-85-0
89403-85-0 | 6-Nitro-1,2,3-benzotriazin-4(1H)-one 2-oxide
CAS No: 89403-85-0 Catalog No: AG003VYC MDL No:
Product Description
Catalog Number:
AG003VYC
Chemical Name:
6-Nitro-1,2,3-benzotriazin-4(1H)-one 2-oxide
CAS Number:
89403-85-0
Molecular Formula:
C7H4N4O4
Molecular Weight:
208.1311
IUPAC Name:
6-nitro-2-oxido-3H-1,2,3-benzotriazin-2-ium-4-one
InChI:
InChI=1S/C7H4N4O4/c12-7-5-3-4(10(13)14)1-2-6(5)8-11(15)9-7/h1-3H,(H,8,9,12)
InChI Key:
BKYFXFGONFMJNN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c(=O)n[n+]([nH]2)[O-]
EC Number:
289-498-0
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.023g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.133g/mol
Monoisotopic Mass:
208.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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