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Home > Nitro Compounds > 139614-64-5
139614-64-5 | 2,4-Diazabicyclo[3.2.0]heptan-3-one, 2,4-dinitro-
CAS No: 139614-64-5 Catalog No: AG001BDA MDL No:
Product Description
Catalog Number:
AG001BDA
Chemical Name:
2,4-Diazabicyclo[3.2.0]heptan-3-one, 2,4-dinitro-
CAS Number:
139614-64-5
Molecular Formula:
C5H6N4O5
Molecular Weight:
202.1249
IUPAC Name:
2,4-dinitro-2,4-diazabicyclo[3.2.0]heptan-3-one
InChI:
InChI=1S/C5H6N4O5/c10-5-6(8(11)12)3-1-2-4(3)7(5)9(13)14/h3-4H,1-2H2
InChI Key:
FZUVATKXOAZZHW-UHFFFAOYSA-N
SMILES:
O=C1N([N+](=O)[O-])C2C(N1[N+](=O)[O-])CC2
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.034g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.126g/mol
Monoisotopic Mass:
202.034g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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