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Home > Nitro Compounds > 88502-76-5
88502-76-5 | 1H-Pyrrole, 2-methyl-1-(2-methylphenyl)-4-(4-nitrophenyl)-
CAS No: 88502-76-5 Catalog No: AG0049G6 MDL No:
Product Description
Catalog Number:
AG0049G6
Chemical Name:
1H-Pyrrole, 2-methyl-1-(2-methylphenyl)-4-(4-nitrophenyl)-
CAS Number:
88502-76-5
Molecular Formula:
C18H16N2O2
Molecular Weight:
292.3318
IUPAC Name:
2-methyl-1-(2-methylphenyl)-4-(4-nitrophenyl)pyrrole
InChI:
InChI=1S/C18H16N2O2/c1-13-5-3-4-6-18(13)19-12-16(11-14(19)2)15-7-9-17(10-8-15)20(21)22/h3-12H,1-2H3
InChI Key:
WMANNGINMSLPKT-UHFFFAOYSA-N
SMILES:
Cc1ccccc1n1cc(cc1C)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
387
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:
0
Isotope Atom Count:
0
Molecular Weight:
292.338g/mol
Monoisotopic Mass:
292.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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