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Home > Nitro Compounds > 15032-22-1
15032-22-1 | Pyridine, 2-methyl-4-phenyl-, compd. with 2,4,6-trinitrophenol (1:1)
CAS No: 15032-22-1 Catalog No: AG001MJ0 MDL No:
Product Description
Catalog Number:
AG001MJ0
Chemical Name:
Pyridine, 2-methyl-4-phenyl-, compd. with 2,4,6-trinitrophenol (1:1)
CAS Number:
15032-22-1
Molecular Formula:
C18H14N4O7
Molecular Weight:
398.3264
IUPAC Name:
2-methyl-4-phenylpyridine;2,4,6-trinitrophenol
InChI:
InChI=1S/C12H11N.C6H3N3O7/c1-10-9-12(7-8-13-10)11-5-3-2-4-6-11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-9H,1H3;1-2,10H
InChI Key:
RTUXBILBCIHZCY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O.Cc1nccc(c1)c1ccccc1
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.086g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
398.331g/mol
Monoisotopic Mass:
398.086g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
171A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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