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Home > Nitro Compounds > 73935-70-3
73935-70-3 | 1H-Pyrrole, 2-(4-nitrophenyl)-3,4,5-triphenyl-
CAS No: 73935-70-3 Catalog No: AG005AH3 MDL No:
Product Description
Catalog Number:
AG005AH3
Chemical Name:
1H-Pyrrole, 2-(4-nitrophenyl)-3,4,5-triphenyl-
CAS Number:
73935-70-3
Molecular Formula:
C28H20N2O2
Molecular Weight:
416.4706
IUPAC Name:
2-(4-nitrophenyl)-3,4,5-triphenyl-1H-pyrrole
InChI:
InChI=1S/C28H20N2O2/c31-30(32)24-18-16-23(17-19-24)28-26(21-12-6-2-7-13-21)25(20-10-4-1-5-11-20)27(29-28)22-14-8-3-9-15-22/h1-19,29H
InChI Key:
LVLNASOKHJXADZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1[nH]c(c(c1c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
593
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.152g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
416.48g/mol
Monoisotopic Mass:
416.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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