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925703-41-9 | 2-Propen-1-one, 1-(2,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-, (2E)-
CAS No: 925703-41-9 Catalog No: AG006GN4 MDL No:MFCD21335073
Product Description
Catalog Number:
AG006GN4
Chemical Name:
2-Propen-1-one, 1-(2,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-, (2E)-
CAS Number:
925703-41-9
Molecular Formula:
C17H14Cl2O3
Molecular Weight:
337.1973
MDL Number:
MFCD21335073
IUPAC Name:
1-(2,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C17H14Cl2O3/c1-21-16-8-4-11(9-17(16)22-2)3-7-15(20)13-6-5-12(18)10-14(13)19/h3-10H,1-2H3
InChI Key:
OCDJAUIBNUJIFL-UHFFFAOYSA-N
SMILES:
COc1cc(/C=C/C(=O)c2ccc(cc2Cl)Cl)ccc1OC
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.032g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.196g/mol
Monoisotopic Mass:
336.032g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.9
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