4,4'-Dichlorochalcone

CAT: 0024-sc-267779Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-267779Size:5 g

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CAS Number

19672-59-4

Chemical Information

4',4-Dichlorochalcone

structure in first source

CAS Number	19672-59-4
PubChem CID	5377011
IUPAC Name	(E)-1,3-bis(4-chlorophenyl)prop-2-en-1-one
Molecular Formula	C15H10Cl2O
Molecular Weight	277.1
XLogP	4.3
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	18
Formal Charge	0
Complexity	298

SMILES

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

InChI

InChI=1S/C15H10Cl2O/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10H/b10-3+

InChIKey

YMEMCRBNZSLQCQ-XCVCLJGOSA-N

Chemical Structure

2D Structure

CAS: 19672-59-4

CID: 5377011

Formula: C15H10Cl2O

MW: 277.1

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	277.1
XLogP3	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	276.0108703
Monoisotopic Mass	276.0108703
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	298
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
sc-262190	4,4,4-Trifluorobutyraldehyde
sc-476168	4,4',4''-Trihydroxytriphenylmethane
sc-262193	4,4,4-Trifluorocrotononitrile
sc-284451A	4,4,4-Trifluorobutylamine
sc-262190B	4,4,4-Trifluorobutyraldehyde
sc-262192A	4,4,4-Trifluorocrotonamide
sc-284451	4,4,4-Trifluorobutylamine
sc-262190A	4,4,4-Trifluorobutyraldehyde
sc-262192	4,4,4-Trifluorocrotonamide
sc-501189	4-[4- (4-Chlorophenyl) -4-hydroxypiperidine]-4-defluorohaloperidol Decanoate

Catalog	Name
OR24965-01	4,4'-Dichlorochalcone
FD67119-01	2,4'-Dichlorochalcone
OR4795	2',4'-Dichlorochalcone
OR4800	4-Bromo-2',4'-dichlorochalcone
FM67147-01	α-Methyl 2,4-dichlorochalcone
PC5215	4,4,4,4',4',4'-Hexafluorovaline hydrochloride
PC6412	4,4,4-Trifluorobutyl 4,4,4-trifluorobutanoate
OR1011273-01	4,4',4'',4'''-Methanetetrayltetrabenzaldehyde
OR1011238-01	4,4,4,4-Silanetetrayltetrabenzaldehyde
OR1011275-01	4,4',4'',4'''-Methanetetrayltetraphenol