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Home > Nitro Compounds > 28559-72-0
28559-72-0 | Pyridine, 2-(trinitromethyl)-
CAS No: 28559-72-0 Catalog No: AG002VPS MDL No:
Product Description
Catalog Number:
AG002VPS
Chemical Name:
Pyridine, 2-(trinitromethyl)-
CAS Number:
28559-72-0
Molecular Formula:
C6H4N4O6
Molecular Weight:
228.1192
IUPAC Name:
2-(trinitromethyl)pyridine
InChI:
InChI=1S/C6H4N4O6/c11-8(12)6(9(13)14,10(15)16)5-3-1-2-4-7-5/h1-4H
InChI Key:
UPJHFIFANDBTQY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(c1ccccn1)([N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.013g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.12g/mol
Monoisotopic Mass:
228.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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