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Home > Nitro Compounds > 947330-58-7
947330-58-7 | Pyridine,3-nitro-2-(2-phenylethynyl)-
CAS No: 947330-58-7 Catalog No: AG00IIHW MDL No:
Product Description
Catalog Number:
AG00IIHW
Chemical Name:
Pyridine,3-nitro-2-(2-phenylethynyl)-
CAS Number:
947330-58-7
Molecular Formula:
C13H8N2O2
Molecular Weight:
224.2148
IUPAC Name:
3-nitro-2-(2-phenylethynyl)pyridine
InChI:
InChI=1S/C13H8N2O2/c16-15(17)13-7-4-10-14-12(13)9-8-11-5-2-1-3-6-11/h1-7,10H
InChI Key:
FHKHJZAJFFRLKC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccnc1C#Cc1ccccc1
Properties
Complexity:
330
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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