2-Fluoro-4-iodophenacyl bromide

CAT: 0127-PC56192Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-PC56192Size:1 Each

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CAS Number

1165872-87-6

Synonyms

2-Bromo-1- (2-fluoro-4-iodophenyl) ethanone

MDL Number

MFCD22491138

Purity

=95%

Smiles

Fc1cc(I)ccc1C(=O)CBr

Storage Conditions

Store at 2-8°C

Chemical Information

2'-Fluoro-4'-iodophenacyl bromide

CAS Number	1165872-87-6
PubChem CID	87232768
IUPAC Name	2-bromo-1-(2-fluoro-4-iodophenyl)ethanone
Molecular Formula	C8H5BrFIO
Molecular Weight	342.93
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=C1I)F)C(=O)CBr

InChI

InChI=1S/C8H5BrFIO/c9-4-8(12)6-2-1-5(11)3-7(6)10/h1-3H,4H2

InChIKey

AHJGRQGYQCPHPH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1165872-87-6

CID: 87232768

Formula: C8H5BrFIO

MW: 342.93

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	342.93
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	341.85525
Monoisotopic Mass	341.85525
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
PC501447	2-Fluoro-3-iodophenacyl bromide
PC500627	2-Bromo-3-fluoro-4-iodophenacyl bromide
PC501932	2-Bromo-5-fluoro-4-iodophenacyl bromide
PC500621	4-Bromo-3-fluoro-2-iodophenacyl bromide
OR9902-01	4-Iodophenacyl bromide
OR400132-01	2-Iodophenacyl bromide
PC99387	3-Fluoro-5-iodophenacyl bromide
PC500676	2,3-Difluoro-4-iodophenacyl bromide
OR45138-01	3-Iodophenacyl bromide
OR48077-01	3-Chloro-4-iodophenacyl bromide

Catalog	Name
TRC-F593620-5G	2-Fluoro-4-methylbenzyl Bromide
417819-01	2-Fluoro-4-methoxyphenacyl Bromide
sc-356885A	4-Fluoro-2-hydroxyphenacyl bromide
sc-267507	4-Fluoro-2-methylbenzyl bromide
432266-01	4-Fluoro-2- (trifluoromethyl) phenacyl bromide
FF87165	4-Fluoro-2- (trifluoromethyl) benzyl bromide
417779-01	2-Fluoro-4- (trifluoromethyl) phenacyl bromide
sc-472390	2-Fluoro-4- (trifluoromethyl) benzyl bromide
sc-232686	4-Fluoro-2-methylphenylmagnesium bromide solution
425654-01	3-Fluoro-4-methylbenzyl bromide