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4-Bromo-2',4'-dichlorochalcone

CAT: 0127-OR4800Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-OR4800Size:1 Each
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CAS Number
936338-55-5
MDL Number
MFCD04687515
Purity
=95%
Smiles
Clc1ccc(C(=O)\C=C\c2ccc(Br)cc2)c(Cl)c1

Chemical Information

4-Bromo-2',4'-dichlorochalcone
CAS Number936338-55-5
PubChem CID26966851
IUPAC Name(E)-3-(4-bromophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one
Molecular FormulaC15H9BrCl2O
Molecular Weight356.0
XLogP5.6
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity337
SMILES
C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2)Cl)Cl)Br
InChI
InChI=1S/C15H9BrCl2O/c16-11-4-1-10(2-5-11)3-8-15(19)13-7-6-12(17)9-14(13)18/h1-9H/b8-3+
InChIKey
MXALKBADWPNLKQ-FPYGCLRLSA-N
Chemical Structure
2D Structure
2D structure of 4-Bromo-2',4'-dichlorochalcone
CAS: 936338-55-5
CID: 26966851
Formula: C15H9BrCl2O
MW: 356.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.0
XLogP35.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass353.92138
Monoisotopic Mass353.92138
Topological Polar Surface Area17.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity337
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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