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89225-31-0 | 1,5-Pentanedione, 2,4-dichloro-3-(4-methoxyphenyl)-1,5-diphenyl-
CAS No: 89225-31-0 Catalog No: AG0043GO MDL No:
Product Description
Catalog Number:
AG0043GO
Chemical Name:
1,5-Pentanedione, 2,4-dichloro-3-(4-methoxyphenyl)-1,5-diphenyl-
CAS Number:
89225-31-0
Molecular Formula:
C24H20Cl2O3
Molecular Weight:
427.3198
IUPAC Name:
2,4-dichloro-3-(4-methoxyphenyl)-1,5-diphenylpentane-1,5-dione
InChI:
InChI=1S/C24H20Cl2O3/c1-29-19-14-12-16(13-15-19)20(21(25)23(27)17-8-4-2-5-9-17)22(26)24(28)18-10-6-3-7-11-18/h2-15,20-22H,1H3
InChI Key:
MMDNHCJKUQQCDP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(C(C(=O)c1ccccc1)Cl)C(C(=O)c1ccccc1)Cl
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.079g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
427.321g/mol
Monoisotopic Mass:
426.079g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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