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125041-90-9 | 2-Propen-1-one, 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-
CAS No: 125041-90-9 Catalog No: AG000N16 MDL No:
Product Description
Catalog Number:
AG000N16
Chemical Name:
2-Propen-1-one, 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-
CAS Number:
125041-90-9
Molecular Formula:
C15H9Cl3O
Molecular Weight:
311.5904
IUPAC Name:
1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-en-1-one
InChI:
InChI=1S/C15H9Cl3O/c16-12-5-3-11(4-6-12)15(19)8-2-10-1-7-13(17)14(18)9-10/h1-9H
InChI Key:
XPUCGDUSZRAVLO-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)C=Cc1ccc(c(c1)Cl)Cl
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.972g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.586g/mol
Monoisotopic Mass:
309.972g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.6
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