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Home > Nitro Compounds > 138416-39-4
138416-39-4 | Guanidine, N-nitro-N'-(4-nitrophenyl)-
CAS No: 138416-39-4 Catalog No: AG001932 MDL No:
Product Description
Catalog Number:
AG001932
Chemical Name:
Guanidine, N-nitro-N'-(4-nitrophenyl)-
CAS Number:
138416-39-4
Molecular Formula:
C7H7N5O4
Molecular Weight:
225.1616
IUPAC Name:
1-nitro-2-(4-nitrophenyl)guanidine
InChI:
InChI=1S/C7H7N5O4/c8-7(10-12(15)16)9-5-1-3-6(4-2-5)11(13)14/h1-4H,(H3,8,9,10)
InChI Key:
XOGPBHSLWLPUDP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)NC(=N)Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.05g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.164g/mol
Monoisotopic Mass:
225.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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