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Home > Nitro Compounds > 787619-76-5
787619-76-5 | Benzene, 1,3,5-trinitroso-
CAS No: 787619-76-5 Catalog No: AG005PJN MDL No:
Product Description
Catalog Number:
AG005PJN
Chemical Name:
Benzene, 1,3,5-trinitroso-
CAS Number:
787619-76-5
Molecular Formula:
C6H3N3O3
Molecular Weight:
165.1063
IUPAC Name:
1,3,5-trinitrosobenzene
InChI:
InChI=1S/C6H3N3O3/c10-7-4-1-5(8-11)3-6(2-4)9-12/h1-3H
InChI Key:
RSIZOCDYNXIYSR-UHFFFAOYSA-N
SMILES:
O=Nc1cc(N=O)cc(c1)N=O
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.017g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.108g/mol
Monoisotopic Mass:
165.017g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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