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Home > Nitro Compounds > 13010-08-7
13010-08-7 | Guanidine, N-butyl-N'-nitro-N-nitroso-
CAS No: 13010-08-7 Catalog No: AG000TZY MDL No:
Product Description
Catalog Number:
AG000TZY
Chemical Name:
Guanidine, N-butyl-N'-nitro-N-nitroso-
CAS Number:
13010-08-7
Molecular Formula:
C5H11N5O3
Molecular Weight:
189.1725
IUPAC Name:
1-butyl-3-nitro-1-nitrosoguanidine
InChI:
InChI=1S/C5H11N5O3/c1-2-3-4-9(8-11)5(6)7-10(12)13/h2-4H2,1H3,(H2,6,7)
InChI Key:
FJNCPBNCTRDXFB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)NC(=N)N(N=O)CCCC
EC Number:
235-857-1
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.086g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.175g/mol
Monoisotopic Mass:
189.086g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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