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Home > Nitro Compounds > 16237-97-1
16237-97-1 | Benzofuran, 5-nitro-2-phenyl-
CAS No: 16237-97-1 Catalog No: AG001T21 MDL No:
Product Description
Catalog Number:
AG001T21
Chemical Name:
Benzofuran, 5-nitro-2-phenyl-
CAS Number:
16237-97-1
Molecular Formula:
C14H9NO3
Molecular Weight:
239.2262
IUPAC Name:
5-nitro-2-phenyl-1-benzofuran
InChI:
InChI=1S/C14H9NO3/c16-15(17)12-6-7-13-11(8-12)9-14(18-13)10-4-2-1-3-5-10/h1-9H
InChI Key:
LSIZJYOZWTXNCL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)cc(o2)c1ccccc1
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.058g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.23g/mol
Monoisotopic Mass:
239.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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