2-Bromo-3-fluorophenacyl bromide

CAT: 0127-PC500649Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

1427452-18-3

MDL Number

MFCD23711742

Purity

=95%

Smiles

Fc1cccc(C(=O)CBr)c1Br

Chemical Information

2-Bromo-3-fluorophenacyl bromide

CAS Number	1427452-18-3
PubChem CID	81508051
IUPAC Name	2-bromo-1-(2-bromo-3-fluorophenyl)ethanone
Molecular Formula	C8H5Br2FO
Molecular Weight	295.93
XLogP	3.2
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	174

SMILES

C1=CC(=C(C(=C1)F)Br)C(=O)CBr

InChI

InChI=1S/C8H5Br2FO/c9-4-7(12)5-2-1-3-6(11)8(5)10/h1-3H,4H2

InChIKey

MXYYCYJHDAXBTP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1427452-18-3

CID: 81508051

Formula: C8H5Br2FO

MW: 295.93

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	295.93
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	295.86707
Monoisotopic Mass	293.86912
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
PC49325-01	3-Bromo-2-fluorophenacyl bromide
PC5429-01	3-Bromo-4-fluorophenacyl bromide
PC50303-01	2-Bromo-6-fluorophenacyl bromide
PC501785-01	3-Bromo-5-fluorophenacyl bromide
PC501321-01	4-Bromo-3-fluorophenacyl bromide
PC500502-01	5-Bromo-2-fluorophenacyl bromide
PC6936-01	4-Bromo-2-fluorophenacyl bromide
PC32728	2-Bromo-5-fluorophenacyl bromide
PC6831-01	2-Bromo-4-fluorophenacyl bromide
PC48962-01	3-Bromo-4-chloro-2-fluorophenacyl bromide

Catalog	Name
GK7183-25g	4-Fluorophenacyl bromide
416760-01	2-Chloro-4-fluorophenacyl bromide
F03850-01	P-Fluorophenacyl bromide 97%
HDA61749-01	2-Bromo-3-nitrobenzyl bromide
DFA82886-01	2-Bromo-3-methoxybenzyl bromide
415805-01	2-Bromo-3-thenyl Bromide
CXB55847-01	3-Bromo-2-methoxybenzyl bromide
424169-01	3-Bromo-2-fluorobenzyl bromide
sc-259566A	2-Bromo-2,3,3,3-tetrafluoropropanoyl bromide
MKB58585-01	5-Bromo-2,3-difluorobenzyl bromide