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Home > Nitro Compounds > 131081-13-5
131081-13-5 | 3-(2-Nitrophenyl)pyridine picrate
CAS No: 131081-13-5 Catalog No: AG01FED8 MDL No:
Product Description
Catalog Number:
AG01FED8
Chemical Name:
3-(2-Nitrophenyl)pyridine picrate
CAS Number:
131081-13-5
Molecular Formula:
C17H11N5O9
Molecular Weight:
429.2973
IUPAC Name:
3-(2-nitrophenyl)pyridine;2,4,6-trinitrophenol
InChI:
InChI=1S/C11H8N2O2.C6H3N3O7/c14-13(15)11-6-2-1-5-10(11)9-4-3-7-12-8-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-8H;1-2,10H
InChI Key:
PJJLRAAGPZSION-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1c1cccnc1.[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
429.056g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
429.301g/mol
Monoisotopic Mass:
429.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
216A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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