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88502-80-1 | 1H-Pyrrole, 2,4-dichloro-5-methyl-1-(4-methylphenyl)-3-(4-nitrophenyl)-
CAS No: 88502-80-1 Catalog No: AG0048AA MDL No:
Product Description
Catalog Number:
AG0048AA
Chemical Name:
1H-Pyrrole, 2,4-dichloro-5-methyl-1-(4-methylphenyl)-3-(4-nitrophenyl)-
CAS Number:
88502-80-1
Molecular Formula:
C18H14Cl2N2O2
Molecular Weight:
361.2220
IUPAC Name:
2,4-dichloro-5-methyl-1-(4-methylphenyl)-3-(4-nitrophenyl)pyrrole
InChI:
InChI=1S/C18H14Cl2N2O2/c1-11-3-7-14(8-4-11)21-12(2)17(19)16(18(21)20)13-5-9-15(10-6-13)22(23)24/h3-10H,1-2H3
InChI Key:
HCVWMHVLWNKMLJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1c(C)c(c(c1Cl)c1ccc(cc1)[N+](=O)[O-])Cl
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.043g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.222g/mol
Monoisotopic Mass:
360.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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