2,4-Dichlorophenacyl bromide

CAT: 1596-AR-K01624-03Size: 50 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-K01624-03Size:50 Units

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CAS Number

2631-72-3

Synonyms

2-Bromo-1- (2,4-dichlorophenyl) ethan-1-one

Molecular Formula

C8H5BrCl2O

Molecular Weight

267.93

API Name

Ketoconazole

Chemical Information

2-Bromo-1-(2,4-dichlorophenyl)ethan-1-one

CAS Number	2631-72-3
PubChem CID	75828
IUPAC Name	2-bromo-1-(2,4-dichlorophenyl)ethanone
Molecular Formula	C8H5BrCl2O
Molecular Weight	267.93
XLogP	3.7
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	174

SMILES

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

InChI

InChI=1S/C8H5BrCl2O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2

InChIKey

DASJDMQCPIDJIF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2631-72-3

CID: 75828

Formula: C8H5BrCl2O

MW: 267.93

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	267.93
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	265.89008
Monoisotopic Mass	265.89008
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	174
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-B07889-01	4-Bromobenzyl bromide
AR-B06389-01	4-Fluoromethylbenzyl Bromide
AR-D01102-01	4'- (2,2-dibromoacetyl) -[1,1'-biphenyl]-4-carbonyl bromide
AR-M02635-01	2-Methylbenzyl bromide
AR-I01660-01	4-Hydroxy Ipratropium Bromide
AR-I03859-01	4-Hydroxy Ipratropium Bromide
AR-C08129-01	Clopidogrel Impurity 4 Bromide
AR-V06453-01	Vecuronium Bromide Impurity 4
AR-L07011-01	Levocarnitine Impurity 2 Bromide
AR-V06460-01	Vecuronium Bromide Impurity 2