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Home > Nitro Compounds > 86864-05-3
86864-05-3 | 1H-Pyrrole, 3-(3-nitrophenyl)-2,5-diphenyl-
CAS No: 86864-05-3 Catalog No: AG004PJA MDL No:
Product Description
Catalog Number:
AG004PJA
Chemical Name:
1H-Pyrrole, 3-(3-nitrophenyl)-2,5-diphenyl-
CAS Number:
86864-05-3
Molecular Formula:
C22H16N2O2
Molecular Weight:
340.3746
IUPAC Name:
3-(3-nitrophenyl)-2,5-diphenyl-1H-pyrrole
InChI:
InChI=1S/C22H16N2O2/c25-24(26)19-13-7-12-18(14-19)20-15-21(16-8-3-1-4-9-16)23-22(20)17-10-5-2-6-11-17/h1-15,23H
InChI Key:
PXWJHMPGRWACTN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1cc([nH]c1c1ccccc1)c1ccccc1
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.121g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.382g/mol
Monoisotopic Mass:
340.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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