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Home > Nitro Compounds > 88795-99-7
88795-99-7 | Pyridine, 5-methyl-2-(trinitromethyl)-
CAS No: 88795-99-7 Catalog No: AG004CTR MDL No:
Product Description
Catalog Number:
AG004CTR
Chemical Name:
Pyridine, 5-methyl-2-(trinitromethyl)-
CAS Number:
88795-99-7
Molecular Formula:
C7H6N4O6
Molecular Weight:
242.1457
IUPAC Name:
5-methyl-2-(trinitromethyl)pyridine
InChI:
InChI=1S/C7H6N4O6/c1-5-2-3-6(8-4-5)7(9(12)13,10(14)15)11(16)17/h2-4H,1H3
InChI Key:
GBPKIJMSVAUQAR-UHFFFAOYSA-N
SMILES:
Cc1ccc(nc1)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.029g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.147g/mol
Monoisotopic Mass:
242.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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