3,5-Difluorophenacyl bromide

CAT: 0127-PC4473-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC4473-01Size:1 g

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CAS Number

220607-75-0

Synonyms

2-Bromo-3',5'-difluoroacetophenone, 2-Bromo-1- (3,5-difluorophenyl) ethan-1-one

MDL Number

MFCD03094245

Purity

98%

Smiles

Fc1cc(F)cc(c1)C(=O)CBr

Chemical Information

2-Bromo-1-(3,5-difluorophenyl)ethanone

CAS Number	220607-75-0
PubChem CID	2778331
IUPAC Name	2-bromo-1-(3,5-difluorophenyl)ethanone
Molecular Formula	C8H5BrF2O
Molecular Weight	235.02
XLogP	2.6
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	164

SMILES

C1=C(C=C(C=C1F)F)C(=O)CBr

InChI

InChI=1S/C8H5BrF2O/c9-4-8(12)5-1-6(10)3-7(11)2-5/h1-3H,4H2

InChIKey

CJEGSZFRYLCTLK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 220607-75-0

CID: 2778331

Formula: C8H5BrF2O

MW: 235.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	235.02
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	233.94918
Monoisotopic Mass	233.94918
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	164
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
PC3057-01	2,5-Difluorophenacyl bromide
PC502006	3-Bromo-2,5-difluorophenacyl bromide
PC2864G-01	3,4-Difluorophenacyl bromide
PC10408-01	2,3-Difluorophenacyl bromide
PC501878	5-Bromo-2,3-difluorophenacyl bromide
PC501706-01	3-Bromo-2,4-difluorophenacyl bromide
PC500006	3-Bromo-2,6-difluorophenacyl bromide
PC3052	2,6-Difluorophenacyl bromide
PC2755-01	2,4-Difluorophenacyl bromide
PC501977	2-Bromo-3,4-difluorophenacyl bromide