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Home > Nitro Compounds > 81581-95-5
81581-95-5 | 2,1,3-Benzoxadiazole, 4,7-dinitro-
CAS No: 81581-95-5 Catalog No: AG005JS9 MDL No:
Product Description
Catalog Number:
AG005JS9
Chemical Name:
2,1,3-Benzoxadiazole, 4,7-dinitro-
CAS Number:
81581-95-5
Molecular Formula:
C6H2N4O5
Molecular Weight:
210.1039
IUPAC Name:
4,7-dinitro-2,1,3-benzoxadiazole
InChI:
InChI=1S/C6H2N4O5/c11-9(12)3-1-2-4(10(13)14)6-5(3)7-15-8-6/h1-2H
InChI Key:
NKCFZRHQEISCBG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c2c1non2)[N+](=O)[O-]
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.003g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.105g/mol
Monoisotopic Mass:
210.003g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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