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Home > Nitro Compounds > 191017-87-5
191017-87-5 | Azetidine, 3,3-dinitro-1-nitroso-
CAS No: 191017-87-5 Catalog No: AG002EZW MDL No:
Product Description
Catalog Number:
AG002EZW
Chemical Name:
Azetidine, 3,3-dinitro-1-nitroso-
CAS Number:
191017-87-5
Molecular Formula:
C3H4N4O5
Molecular Weight:
176.0877
IUPAC Name:
3,3-dinitro-1-nitrosoazetidine
InChI:
InChI=1S/C3H4N4O5/c8-4-5-1-3(2-5,6(9)10)7(11)12/h1-2H2
InChI Key:
NIRBWHDGXAFZGE-UHFFFAOYSA-N
SMILES:
O=NN1CC(C1)([N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.018g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.088g/mol
Monoisotopic Mass:
176.018g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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