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100989-43-3 | Ethanone, 1-[5-(4-chlorophenyl)-2-methyl-1-phenyl-1H-pyrrol-3-yl]-
CAS No: 100989-43-3 Catalog No: AG0003DJ MDL No:
Product Description
Catalog Number:
AG0003DJ
Chemical Name:
Ethanone, 1-[5-(4-chlorophenyl)-2-methyl-1-phenyl-1H-pyrrol-3-yl]-
CAS Number:
100989-43-3
Molecular Formula:
C19H16ClNO
Molecular Weight:
309.7894
IUPAC Name:
1-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]ethanone
InChI:
InChI=1S/C19H16ClNO/c1-13-18(14(2)22)12-19(15-8-10-16(20)11-9-15)21(13)17-6-4-3-5-7-17/h3-12H,1-2H3
InChI Key:
ZOELMDIYLFVJBA-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1cc(c(n1c1ccccc1)C)C(=O)C
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.092g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.793g/mol
Monoisotopic Mass:
309.092g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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