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Home > Nitro Compounds > 176501-96-5
176501-96-5 | Urea, N,N'-dinitro-
CAS No: 176501-96-5 Catalog No: AG0024QL MDL No:
Product Description
Catalog Number:
AG0024QL
Chemical Name:
Urea, N,N'-dinitro-
CAS Number:
176501-96-5
Molecular Formula:
CH2N4O5
Molecular Weight:
150.0504
IUPAC Name:
1,3-dinitrourea
InChI:
InChI=1S/CH2N4O5/c6-1(2-4(7)8)3-5(9)10/h(H2,2,3,6)
InChI Key:
JNECAQOEHMAUEJ-UHFFFAOYSA-N
SMILES:
O=C(N[N+](=O)[O-])N[N+](=O)[O-]
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.003g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
150.05g/mol
Monoisotopic Mass:
150.003g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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