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Home > Nitro Compounds > 72364-96-6
72364-96-6 | 1H-Naphtho[2,3-d]triazole-4,9-dione, 5-nitro-
CAS No: 72364-96-6 Catalog No: AG005HZK MDL No:
Product Description
Catalog Number:
AG005HZK
Chemical Name:
1H-Naphtho[2,3-d]triazole-4,9-dione, 5-nitro-
CAS Number:
72364-96-6
Molecular Formula:
C10H4N4O4
Molecular Weight:
244.1632
IUPAC Name:
5-nitro-2H-benzo[f]benzotriazole-4,9-dione
InChI:
InChI=1S/C10H4N4O4/c15-9-4-2-1-3-5(14(17)18)6(4)10(16)8-7(9)11-13-12-8/h1-3H,(H,11,12,13)
InChI Key:
VGCSGRJZGOEOEM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1C(=O)c1nn[nH]c1C2=O
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.023g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.166g/mol
Monoisotopic Mass:
244.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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