2,6-Dichloroacetophenone

CAT: 1596-AR-A05389-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A05389-02Size:25 Units

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CAS Number

2040-05-3

Molecular Formula

C8H6Cl2O

Molecular Weight

189.04

API Name

Acetic acid

Chemical Information

2',6'-Dichloroacetophenone

CAS Number	2040-05-3
PubChem CID	74877
IUPAC Name	1-(2,6-dichlorophenyl)ethanone
Molecular Formula	C8H6Cl2O
Molecular Weight	189.04
XLogP	2.9
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	148

SMILES

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

InChI

InChI=1S/C8H6Cl2O/c1-5(11)8-6(9)3-2-4-7(8)10/h2-4H,1H3

InChIKey

HYBDSXBLGCQKRE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2040-05-3

CID: 74877

Formula: C8H6Cl2O

MW: 189.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	189.04
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	187.9795702
Monoisotopic Mass	187.9795702
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	148
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
AR-N08275-01	6,6'-dimethoxy-2,2'-binaphthalene
AR-M02546-01	4-Amino-2,2,6,6-tetramethylpiperidine
AR-B07334-01	2,2'4,4',6,6'-Hexabromobiphenyl
AR-P31850-01	N-Nitroso 2,2,6,6-Tetramethylpiperidine
AR-A01418-01	Dimethyl [2,2'-binaphthalene]-6,6'-dicarboxylate
AR-N08981-01	Nylon 6,6 Impurity 2
AR-P01648-01	2,4,6-Trichlorophenol (2,4,6-TCP)
AR-M02587-01	2, ?6-?dichloro-?2, ?6-?dimethyl-4-?heptanone
AR-H01080-01	2,2,4,6,6-Pentamethyl-3-Heptene
AR-B07330-01	2,2',6,6'-Tetrahydroxy-1,1'-Biphenyl

Catalog	Name
sc-225832	2',6'-Dichloroacetophenone
OR1010330-01	2-Bromo-2',6'-Dichloroacetophenone
TRC-D431645-5G	2,2-Dichloroacetophenone
FD45894-01	2',4'-Dichloroacetophenone
420022-01	2,3'-Dichloroacetophenone
sc-225828	2',5'-Dichloroacetophenone
D13260-01	2 4-Dichloroacetophenone
GTR19252445-01	2,3-Dichloroacetophenone
D13255	2',3'-Dichloroacetophenone
937-20-2	2,4'-Dichloroacetophenone