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Home > Nitro Compounds > 20705-75-3
20705-75-3 | Pyridine, 4-methyl-, compd. with 2,4,6-trinitrophenol (1:1)
CAS No: 20705-75-3 Catalog No: AG002ITP MDL No:
Product Description
Catalog Number:
AG002ITP
Chemical Name:
Pyridine, 4-methyl-, compd. with 2,4,6-trinitrophenol (1:1)
CAS Number:
20705-75-3
Molecular Formula:
C12H10N4O7
Molecular Weight:
322.2304
IUPAC Name:
4-methylpyridine;2,4,6-trinitrophenol
InChI:
InChI=1S/C6H3N3O7.C6H7N/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;1-6-2-4-7-5-3-6/h1-2,10H;2-5H,1H3
InChI Key:
WMGAKIYUNSLHIB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O.Cc1ccncc1
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.055g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.233g/mol
Monoisotopic Mass:
322.055g/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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