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Home > Nitro Compounds > 863871-00-5
863871-00-5 | Benzofuran,4-(3-nitrophenyl)-2-phenyl-
CAS No: 863871-00-5 Catalog No: AG004RHK MDL No:
Product Description
Catalog Number:
AG004RHK
Chemical Name:
Benzofuran,4-(3-nitrophenyl)-2-phenyl-
CAS Number:
863871-00-5
Molecular Formula:
C20H13NO3
Molecular Weight:
315.3221
IUPAC Name:
4-(3-nitrophenyl)-2-phenyl-1-benzofuran
InChI:
InChI=1S/C20H13NO3/c22-21(23)16-9-4-8-15(12-16)17-10-5-11-19-18(17)13-20(24-19)14-6-2-1-3-7-14/h1-13H
InChI Key:
XONORTLPNMEOPB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1cccc2c1cc(o2)c1ccccc1
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.09g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.328g/mol
Monoisotopic Mass:
315.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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