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Home > Nitro Compounds > 1609-02-5
1609-02-5 | Guanidine, N-methyl-, compd. with 2,4,6-trinitrophenol (1:1)
CAS No: 1609-02-5 Catalog No: AG001VGN MDL No:
Product Description
Catalog Number:
AG001VGN
Chemical Name:
Guanidine, N-methyl-, compd. with 2,4,6-trinitrophenol (1:1)
CAS Number:
1609-02-5
Molecular Formula:
C8H10N6O7
Molecular Weight:
302.2010
IUPAC Name:
2-methylguanidine;2,4,6-trinitrophenol
InChI:
InChI=1S/C6H3N3O7.C2H7N3/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;1-5-2(3)4/h1-2,10H;1H3,(H4,3,4,5)
InChI Key:
LRNGQFITTHUQBY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O.CNC(=N)N
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.061g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
302.203g/mol
Monoisotopic Mass:
302.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
222A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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