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Home > Nitro Compounds > 70973-05-6
70973-05-6 | Guanidine, (2-nitrophenyl)-, mononitrate
CAS No: 70973-05-6 Catalog No: AG005F7A MDL No:
Product Description
Catalog Number:
AG005F7A
Chemical Name:
Guanidine, (2-nitrophenyl)-, mononitrate
CAS Number:
70973-05-6
Molecular Formula:
C7H9N5O5
Molecular Weight:
243.1769
IUPAC Name:
nitric acid;2-(2-nitrophenyl)guanidine
InChI:
InChI=1S/C7H8N4O2.HNO3/c8-7(9)10-5-3-1-2-4-6(5)11(12)13;2-1(3)4/h1-4H,(H4,8,9,10);(H,2,3,4)
InChI Key:
LHKBURXKWCPYGU-UHFFFAOYSA-N
SMILES:
NC(=N)Nc1ccccc1[N+](=O)[O-].[O-][N+](=O)O
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.06g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
243.179g/mol
Monoisotopic Mass:
243.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
176A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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