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Home > Nitro Compounds > 73935-69-0
73935-69-0 | 1H-Pyrrole, 3,4-dimethyl-2-(4-nitrophenyl)-5-phenyl-
CAS No: 73935-69-0 Catalog No: AG005AH4 MDL No:
Product Description
Catalog Number:
AG005AH4
Chemical Name:
1H-Pyrrole, 3,4-dimethyl-2-(4-nitrophenyl)-5-phenyl-
CAS Number:
73935-69-0
Molecular Formula:
C18H16N2O2
Molecular Weight:
292.3318
IUPAC Name:
3,4-dimethyl-2-(4-nitrophenyl)-5-phenyl-1H-pyrrole
InChI:
InChI=1S/C18H16N2O2/c1-12-13(2)18(15-8-10-16(11-9-15)20(21)22)19-17(12)14-6-4-3-5-7-14/h3-11,19H,1-2H3
InChI Key:
AJUFUQGCNZEUGL-UHFFFAOYSA-N
SMILES:
Cc1c([nH]c(c1C)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.338g/mol
Monoisotopic Mass:
292.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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