3'-Bromo-5'-chloro-2'-hydroxyacetophenone

CAT: 0127-OR1112-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1112-01Size:5 g

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CAS Number

59443-15-1

Synonyms

1- (3-Bromo-5-chloro-2-hydroxyphenyl) ethan-1-one, 2-Acetyl-6-bromo-4-chlorophenol

MDL Number

MFCD00857068

Purity

=95%

Smiles

CC(=O)c1cc(Cl)cc(Br)c1O

Chemical Information

3'-Bromo-5'-chloro-2'-hydroxyacetophenone

CAS Number	59443-15-1
PubChem CID	2735546
IUPAC Name	1-(3-bromo-5-chloro-2-hydroxyphenyl)ethanone
Molecular Formula	C8H6BrClO2
Molecular Weight	249.49
XLogP	3.1
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	186

SMILES

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

InChI

InChI=1S/C8H6BrClO2/c1-4(11)6-2-5(10)3-7(9)8(6)12/h2-3,12H,1H3

InChIKey

FFAVKFQPEOGJOA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 59443-15-1

CID: 2735546

Formula: C8H6BrClO2

MW: 249.49

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	249.49
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	247.92397
Monoisotopic Mass	247.92397
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	186
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
OR345592	5'-Bromo-3'-chloro-2'-hydroxyacetophenone
OR61625	5'-Bromo-4'-chloro-2'-hydroxyacetophenone
OR400495	3'-Bromo-2'-chloro-6'-hydroxyacetophenone
OR1113	5'-Bromo-2'-hydroxyacetophenone
OR957566-01	2'-Chloro-5'-hydroxyacetophenone
OR1115-01	5'-Chloro-2'-hydroxyacetophenone
PC27937-01	3’-Bromo-5’-fluoro-2’-hydroxyacetophenone
OR54360-01	3'-Bromo-2'-hydroxyacetophenone
PC27938-01	5’-Bromo-3’-fluoro-2’-hydroxyacetophenone
OR22015-01	3'-Chloro-2'-hydroxyacetophenone

Catalog	Name
sc-232169	3'-Bromo-5'-chloro-2'-hydroxyacetophenone
sc-230049	2-Bromo-5'-chloro-2'-hydroxyacetophenone
FB34470-01	5'-Bromo-2'-hydroxyacetophenone
sc-227027	5'-Chloro-2'-hydroxyacetophenone
HY-W004713	5′-Chloro-2′-hydroxyacetophenone
004796	2-Bromo-3'-hydroxyacetophenone
234091-01	5-Chloro-2-hydroxyacetophenone 98+%
sc-225227	2-Bromo-5'-fluoro-2'-hydroxyacetophenone
B2859-30	2-Bromo-2’-hydroxyacetophenone
263056-01	2-Bromo-2'-hydroxyacetophenone