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Home > Nitro Compounds > 16625-32-4
16625-32-4 | Pyridine, 2,6-dimethyl-, compd. with 2,4,6-trinitrophenol (1:1)
CAS No: 16625-32-4 Catalog No: AG001WLN MDL No:
Product Description
Catalog Number:
AG001WLN
Chemical Name:
Pyridine, 2,6-dimethyl-, compd. with 2,4,6-trinitrophenol (1:1)
CAS Number:
16625-32-4
Molecular Formula:
C13H12N4O7
Molecular Weight:
336.2570
IUPAC Name:
2,6-dimethylpyridine;2,4,6-trinitrophenol
InChI:
InChI=1S/C7H9N.C6H3N3O7/c1-6-4-3-5-7(2)8-6;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-5H,1-2H3;1-2,10H
InChI Key:
UHJSWTMAFXMJEH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O.Cc1cccc(n1)C
NSC Number:
136966
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.071g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.26g/mol
Monoisotopic Mass:
336.071g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
171A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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