2'-Chloro-4'-bromoacetophenone

CAT: 0127-OR53110-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR53110-01Size:1 g

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CAS Number

252561-81-2

Synonyms

1- (4-Bromo-2-chlorophenyl) ethan-1-one

MDL Number

MFCD07781036

Purity

98%

Smiles

CC(=O)c1ccc(Br)cc1Cl

Storage Conditions

Store at 2-8°C

Chemical Information

1-(4-Bromo-2-chlorophenyl)ethan-1-one

CAS Number	252561-81-2
PubChem CID	15560950
IUPAC Name	1-(4-bromo-2-chlorophenyl)ethanone
Molecular Formula	C8H6BrClO
Molecular Weight	233.49
XLogP	2.9
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	160

SMILES

CC(=O)C1=C(C=C(C=C1)Br)Cl

InChI

InChI=1S/C8H6BrClO/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,1H3

InChIKey

QYKIWOVJASCUBH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 252561-81-2

CID: 15560950

Formula: C8H6BrClO

MW: 233.49

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	233.49
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	231.92906
Monoisotopic Mass	231.92906
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	160
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
BUP15607	4-Chloro-2'-bromoacetophenone
OR01684-01	4'-Bromoacetophenone
OR2031-01	2'-Bromoacetophenone
OR480776-01	4-Amino-3-bromoacetophenone
OR30202-01	3'-Bromoacetophenone
OR909021-01	2-Amino-3'-bromoacetophenone hydrochloride
PC1017447-01	2-Chloro-4- (4-chloro-2-fluorophenyl) pyridine
OR1089289-01	2-Chloro-4- (2-chloro-4-methoxyphenyl) pyridine
OR26275-01	2-Chloro-2,4,4-trimethylpentane
OR350095-01	2-Chloro-4,4'-bipyridine