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88502-79-8 | 1H-Pyrrole, 1-(4-chlorophenyl)-2-methyl-4-(4-nitrophenyl)-
CAS No: 88502-79-8 Catalog No: AG0049G5 MDL No:
Product Description
Catalog Number:
AG0049G5
Chemical Name:
1H-Pyrrole, 1-(4-chlorophenyl)-2-methyl-4-(4-nitrophenyl)-
CAS Number:
88502-79-8
Molecular Formula:
C17H13ClN2O2
Molecular Weight:
312.7503
IUPAC Name:
1-(4-chlorophenyl)-2-methyl-4-(4-nitrophenyl)pyrrole
InChI:
InChI=1S/C17H13ClN2O2/c1-12-10-14(13-2-6-17(7-3-13)20(21)22)11-19(12)16-8-4-15(18)5-9-16/h2-11H,1H3
InChI Key:
SOVBGCMNVNSTPZ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)n1cc(cc1C)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.067g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.753g/mol
Monoisotopic Mass:
312.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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