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Home > Nitro Compounds > 155372-21-7
155372-21-7 | Pyridine, 2-[2-(2-nitrophenyl)ethynyl]-
CAS No: 155372-21-7 Catalog No: AG001NV8 MDL No:
Product Description
Catalog Number:
AG001NV8
Chemical Name:
Pyridine, 2-[2-(2-nitrophenyl)ethynyl]-
CAS Number:
155372-21-7
Molecular Formula:
C13H8N2O2
Molecular Weight:
224.2148
IUPAC Name:
2-[2-(2-nitrophenyl)ethynyl]pyridine
InChI:
InChI=1S/C13H8N2O2/c16-15(17)13-7-2-1-5-11(13)8-9-12-6-3-4-10-14-12/h1-7,10H
InChI Key:
PHVUSNDFFJPQPI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1C#Cc1ccccn1
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.059g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.219g/mol
Monoisotopic Mass:
224.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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