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Home > Nitro Compounds > 87-31-0
87-31-0 | 1,2,3-Benzoxadiazole,5,7-dinitro-
CAS No: 87-31-0 Catalog No: AG004LHW MDL No:
Product Description
Catalog Number:
AG004LHW
Chemical Name:
1,2,3-Benzoxadiazole,5,7-dinitro-
CAS Number:
87-31-0
Molecular Formula:
C6H2N4O5
Molecular Weight:
210.1039
IUPAC Name:
5,7-dinitro-1,2,3-benzoxadiazole
InChI:
InChI=1S/C6H2N4O5/c11-9(12)3-1-4-6(15-8-7-4)5(2-3)10(13)14/h1-2H
InChI Key:
IFYCOVMLDMKOHK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2nnoc2c(c1)[N+](=O)[O-]
Properties
Complexity:
286
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:
0.9
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