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88502-74-3

88502-74-3 | 1H-Pyrrole, 2-methyl-1-(4-methylphenyl)-4-(4-nitrophenyl)-

CAS No: 88502-74-3 Catalog No: AG0049G8 MDL No:

Product Description

Catalog Number:
AG0049G8
Chemical Name:
1H-Pyrrole, 2-methyl-1-(4-methylphenyl)-4-(4-nitrophenyl)-
CAS Number:
88502-74-3
Molecular Formula:
C18H16N2O2
Molecular Weight:
292.3318
IUPAC Name:
2-methyl-1-(4-methylphenyl)-4-(4-nitrophenyl)pyrrole
InChI:
InChI=1S/C18H16N2O2/c1-13-3-7-17(8-4-13)19-12-16(11-14(19)2)15-5-9-18(10-6-15)20(21)22/h3-12H,1-2H3
InChI Key:
BPSZXNUISMMNNJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1cc(cc1C)c1ccc(cc1)[N+](=O)[O-]

Properties

Complexity:
379  
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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