2',4,4'-Trichlorochalcone

CAT: 0127-OR4796Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-OR4796Size:1 Each

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CAS Number

166824-09-5

MDL Number

MFCD04687516

Purity

=95%

Smiles

Clc1ccc(\C=C\C(=O)c2ccc(Cl)cc2Cl)cc1

Chemical Information

2',4,4'-Trichlorochalcone

CAS Number	166824-09-5
PubChem CID	24203886
IUPAC Name	(E)-3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one
Molecular Formula	C15H9Cl3O
Molecular Weight	311.6
XLogP	5.6
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	19
Formal Charge	0
Complexity	334

SMILES

C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2)Cl)Cl)Cl

InChI

InChI=1S/C15H9Cl3O/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

TXUDDFHDDNTVBF-FPYGCLRLSA-N

Chemical Structure

2D Structure

CAS: 166824-09-5

CID: 24203886

Formula: C15H9Cl3O

MW: 311.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	311.6
XLogP3	5.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	309.971898
Monoisotopic Mass	309.971898
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	334
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR4797	2,2',4'-Trichlorochalcone
PC1008376-01	2,2,2-Trifluoroethyl 4,4,4-trifluorobutyrate
PC450330	2,2,3,3,4,4,4-Heptafluorobutyl 2,2,3,4,4,4-hexafluorobutyl carbonate
PC106859	2,2,3,4,4,4-Hexafluorobutoxybenzene
OR1004938-01	2,2',4,4'-Tetranitrodiphenylmethane
OR948311	2,2,4,4-Tetramethylcyclopentanone
OR1055271-01	2,2,4,4-Tetrachlorodibenzylether
OR1026768-01	2,2,4,4-Tetramethylpentane
PC107391	4- (2,2,3,4,4,4-Hexafluorobutoxy) benzonitrile
PC107390	4- (2,2,3,4,4,4-Hexafluorobutoxy) aniline

Catalog	Name
AR-A05563-01	2,4,4,4-Tetrachlorobutanenitrile
LCD08774-01	4,4,4-Trifluoro-2,2-dimethylbutanal
419555-01	2,2′,4,4′-Tetrahydroxybenzophenone
290091-01	2,2',4,4'-Tetranitrodiphenylmethane
290090-01	2,2',4,4'-Tetranitrobenzophenone
AR-O01033-01	2,2,4,4-Tetramethyloctane
AR-M03599-01	2,2,4,4-Tetrachlorodibenzylether
FT55663-01	2,2',4,4'-tetrahydroxybenzophenone
T3001	2,2’,4,4’-Tetranitrodiphenylmethane
sc-265948	2,2,4,4-Tetramethylpentane