3-Fluoro-4-chlorophenacyl bromide

CAT: 0127-PC56972-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC56972-01Size:1 g

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CAS Number

231297-62-4

Synonyms

2-Bromo-1- (4-chloro-3-fluorophenyl) ethanone

MDL Number

MFCD13194237

Purity

98%

Smiles

Fc1cc(ccc1Cl)C(=O)CBr

Chemical Information

2-Bromo-1-(4-chloro-3-fluorophenyl)ethanone

CAS Number	231297-62-4
PubChem CID	23003295
IUPAC Name	2-bromo-1-(4-chloro-3-fluorophenyl)ethanone
Molecular Formula	C8H5BrClFO
Molecular Weight	251.48
XLogP	3.1
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	176

SMILES

C1=CC(=C(C=C1C(=O)CBr)F)Cl

InChI

InChI=1S/C8H5BrClFO/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3H,4H2

InChIKey

CZERMIWLAGUTQP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 231297-62-4

CID: 23003295

Formula: C8H5BrClFO

MW: 251.48

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	251.48
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	249.91963
Monoisotopic Mass	249.91963
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	176
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
PC56955-01	2-Fluoro-4-chlorophenacyl bromide
OR24098-01	4-Chlorophenacyl bromide
OR0271-01	3-Chlorophenacyl bromide
OR400181	2-Bromo-4-chlorophenacyl bromide
OR0270-01	2-Chlorophenacyl bromide
OR400219	2-Bromo-3-chlorophenacyl bromide
OR400327	3-Bromo-5-chlorophenacyl bromide
PC1155-01	3-Fluoro-4-methoxyphenacyl bromide
PC0360-01	3-Fluoro-4-methylbenzyl bromide
PC51006	4-Fluoro-3-methoxybenzyl bromide

Catalog	Name
103812 500	4-Chlorophenacyl Bromide
425164-01	3-Chlorophenacyl bromide
233084-01	4-Chlorophenacyl bromide 98+% (HPLC)
425654-01	3-Fluoro-4-methylbenzyl bromide
sc-226070	3-Fluoro-4-methoxyphenylmagnesium bromide
sc-356723A	3-Fluoro-4-methoxyphenacyl bromide
425672-01	3-Fluoro-4-nitrobenzyl bromide
sc-356725A	3-Fluoro-4-methylphenacyl bromide
XQB93183-01	3-Fluoro-4-iodobenzyl bromide
276721-01	3-Fluoro-4-methoxybenzyl bromide