2,5-Dimethoxyphenacyl bromide

CAT: 0127-OR42107-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR42107-01Size:5 g

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CAS Number

1204-21-3

Synonyms

2-Bromo-2',5'-dimethoxyacetophenone, 2-Bromo-1- (2,5-dimethoxyphenyl) ethan-1-one

MDL Number

MFCD00000198

Purity

98%

Smiles

COc1ccc(OC)c(c1)C(=O)CBr

Chemical Information

2-Bromo-2',5'-dimethoxyacetophenone

CAS Number	1204-21-3
PubChem CID	70997
IUPAC Name	2-bromo-1-(2,5-dimethoxyphenyl)ethanone
Molecular Formula	C10H11BrO3
Molecular Weight	259.10
XLogP	2.3
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	196

SMILES

COC1=CC(=C(C=C1)OC)C(=O)CBr

InChI

InChI=1S/C10H11BrO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5H,6H2,1-2H3

InChIKey

RGQNFYVSEWDUEI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1204-21-3

CID: 70997

Formula: C10H11BrO3

MW: 259.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	259.10
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	257.98916
Monoisotopic Mass	257.98916
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	196
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
OR2851-01	2,4-Dimethoxyphenacyl bromide
OR51867-01	3,4-Dimethoxyphenacyl bromide
OR15000-01	2,5-Dihydroxyphenacyl bromide
OR54697-01	2,5-Dimethylphenacyl bromide
PC2742-01	2,5-Difluorobenzyl bromide
PC3057-01	2,5-Difluorophenacyl bromide
PC500502-01	5-Bromo-2-fluorophenacyl bromide
PC53278-01	2-Fluoro-5-nitrobenzyl bromide
OR400708-01	5-Bromo-2-chlorophenacyl bromide
PC302923-01	2-Fluoro-5-methylbenzyl bromide

Catalog	Name
420572-01	2,5-Difluorobenzyl Bromide
420525-01	2,5-Dichlorobenzyl bromide
420576-01	2,5-Difluorophenacyl Bromide
sc-231132	2,5-Dimethylphenylmagnesium bromide
PLA61798	2-Bromo-5-iodobenzyl bromide
FB12153-01	5-Bromo-2-fluorobenzyl bromide
LAC85214-01	5-Fluoro-2-iodobenzyl bromide
KBA28742	5-Bromo-2-nitrobenzyl bromide
sc-505055	5-Chloro-2-methoxybenzyl Bromide
sc-283110	2-Cyano-5-fluorobenzyl bromide