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114231-62-8 | 4(1H)-Pyridinone, 3-chloro-1-(2-chloro-5-methoxyphenyl)-2,6-diphenyl-
CAS No: 114231-62-8 Catalog No: AG000AW8 MDL No:
Product Description
Catalog Number:
AG000AW8
Chemical Name:
4(1H)-Pyridinone, 3-chloro-1-(2-chloro-5-methoxyphenyl)-2,6-diphenyl-
CAS Number:
114231-62-8
Molecular Formula:
C24H17Cl2NO2
Molecular Weight:
422.3033
IUPAC Name:
3-chloro-1-(2-chloro-5-methoxyphenyl)-2,6-diphenylpyridin-4-one
InChI:
InChI=1S/C24H17Cl2NO2/c1-29-18-12-13-19(25)21(14-18)27-20(16-8-4-2-5-9-16)15-22(28)23(26)24(27)17-10-6-3-7-11-17/h2-15H,1H3
InChI Key:
XTMWQILLDSYYIS-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)n1c(cc(=O)c(c1c1ccccc1)Cl)c1ccccc1)Cl
Properties
Complexity:
662
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.064g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
422.305g/mol
Monoisotopic Mass:
421.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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