2,2-dichloro-1- (2,5-dichlorophenyl) ethanone

CAT: 0127-OR1097604-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1097604-01Size:250 mg

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CAS Number

2274-68-2

MDL Number

MFCD28104919

Purity

95%

Smiles

C (=O) (C (Cl) Cl) c1c (Cl) ccc (Cl) c1

Chemical Information

2,2-Dichloro-1-(2,5-dichlorophenyl)ethanone

See also: 2,2,2',5'-Tetrachloroacetophenone (annotation moved to).

CAS Number	2274-68-2
PubChem CID	12500142
IUPAC Name	2,2-dichloro-1-(2,5-dichlorophenyl)ethanone
Molecular Formula	C8H4Cl4O
Molecular Weight	257.9
XLogP	4.2
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	195

SMILES

C1=CC(=C(C=C1Cl)C(=O)C(Cl)Cl)Cl

InChI

InChI=1S/C8H4Cl4O/c9-4-1-2-6(10)5(3-4)7(13)8(11)12/h1-3,8H

InChIKey

XPNFRMQAKTUXFF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2274-68-2

CID: 12500142

Formula: C8H4Cl4O

MW: 257.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	257.9
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	257.898675
Monoisotopic Mass	255.901626
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	195
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1089270-01	2,2-Dichloro-1- (3,5-dichlorophenyl) ethanol
OR47840-01	2-Bromo-1- (2,5-dichlorophenyl) ethanone
PC1011537-01	2,2-dichloro-1- (2,5-difluorophenyl) ethanone
OR111622	1- (5-Bromo-2,4-dichlorophenyl) ethanone
OR1084500-01	1- (3,5-dichlorophenyl) -2-methoxy-Ethanone
OR1006511-01	2-Bromo-1- (3,5-dichlorophenyl) ethanone
OR1080714	2-chloro-1- (3,5-dichlorophenyl) ethanone
OR1097824-01	2,2-Dichloro-1- (2,6-dichlorophenyl) ethanol
OR1089225-01	2,2-Dichloro-1- (2,3-dichlorophenyl) ethanol
OR1099651-01	2,2-Dichloro-1- (2,4-dichlorophenyl) ethanol

Catalog	Name
TRC-D434125-10G	2,2-Dichloro-1-(2,4-dichlorophenyl)ethanone
159778	2,2-Dichloro-1- (2,4-dichlorophenyl) ethanone
sc-274443	2-chloro-1- (2,5-dichlorophenyl) ethanone
EAA57125	2-Bromo-1- (2,5-dichlorophenyl) ethanone
GT DM 0559-01	1- (2,5-dichlorophenyl) -2- (dimethylamino) ethanone
RG-E140749-01	2,2,2-Trichloro-1- (2,5-dichlorophenyl) ethanone
TRC-D431607-5MG	1-(2,5-Dichlorophenyl)ethanone-d3
407691-01	1- (2,5-Dichlorophenyl) ethanone-d3
TRC-B419383-10MG	1-(2,3-Dichlorophenyl)ethanone
AR-K01034-01	1- (2,4-dichlorophenyl) ethanone