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Home > Nitro Compounds > 88502-77-6
88502-77-6 | 1H-Pyrrole, 1-(2,4-dimethylphenyl)-2-methyl-4-(4-nitrophenyl)-
CAS No: 88502-77-6 Catalog No: AG0048AB MDL No:
Product Description
Catalog Number:
AG0048AB
Chemical Name:
1H-Pyrrole, 1-(2,4-dimethylphenyl)-2-methyl-4-(4-nitrophenyl)-
CAS Number:
88502-77-6
Molecular Formula:
C19H18N2O2
Molecular Weight:
306.3584
IUPAC Name:
1-(2,4-dimethylphenyl)-2-methyl-4-(4-nitrophenyl)pyrrole
InChI:
InChI=1S/C19H18N2O2/c1-13-4-9-19(14(2)10-13)20-12-17(11-15(20)3)16-5-7-18(8-6-16)21(22)23/h4-12H,1-3H3
InChI Key:
LPPCMWKNBQBMHX-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)n1cc(cc1C)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.137g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.365g/mol
Monoisotopic Mass:
306.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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