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Home > Nitro Compounds > 29338-47-4
29338-47-4 | Benzene, 1-nitro-3-(2-phenylethynyl)-
CAS No: 29338-47-4 Catalog No: AG002Y3O MDL No:
Product Description
Catalog Number:
AG002Y3O
Chemical Name:
Benzene, 1-nitro-3-(2-phenylethynyl)-
CAS Number:
29338-47-4
Molecular Formula:
C14H9NO2
Molecular Weight:
223.2268
IUPAC Name:
1-nitro-3-(2-phenylethynyl)benzene
InChI:
InChI=1S/C14H9NO2/c16-15(17)14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-8,11H
InChI Key:
WIDIJEWZZQPARQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)C#Cc1ccccc1
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.063g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.231g/mol
Monoisotopic Mass:
223.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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