2,5-Dimethylphenacyl bromide

CAT: 0127-OR54697-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR54697-01Size:1 g

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CAS Number

75840-13-0

MDL Number

MFCD07364273

Purity

=95%

Smiles

Cc1ccc(C)c(c1)C(=O)CBr

Chemical Information

2-Bromo-1-(2,5-dimethylphenyl)ethan-1-one

CAS Number	75840-13-0
PubChem CID	12610041
IUPAC Name	2-bromo-1-(2,5-dimethylphenyl)ethanone
Molecular Formula	C10H11BrO
Molecular Weight	227.10
XLogP	3.1
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	167

SMILES

CC1=CC(=C(C=C1)C)C(=O)CBr

InChI

InChI=1S/C10H11BrO/c1-7-3-4-8(2)9(5-7)10(12)6-11/h3-5H,6H2,1-2H3

InChIKey

RNNKPAIUSINHSQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 75840-13-0

CID: 12610041

Formula: C10H11BrO

MW: 227.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	227.10
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	225.99933
Monoisotopic Mass	225.99933
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	167
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
OR015117-01	2,4-Dimethylphenacyl bromide
OR15000-01	2,5-Dihydroxyphenacyl bromide
PC2742-01	2,5-Difluorobenzyl bromide
OR42107-01	2,5-Dimethoxyphenacyl 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
PC0365-01	5-Fluoro-2-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