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

CAT: 0024-sc-230049Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-230049Size:1 g
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CAS Number
52727-99-8

Chemical Information

2-Bromo-5'-chloro-2'-hydroxyacetophenone
CAS Number52727-99-8
PubChem CID2756885
IUPAC Name2-bromo-1-(5-chloro-2-hydroxyphenyl)ethanone
Molecular FormulaC8H6BrClO2
Molecular Weight249.49
XLogP3.2
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity174
SMILES
C1=CC(=C(C=C1Cl)C(=O)CBr)O
InChI
InChI=1S/C8H6BrClO2/c9-4-8(12)6-3-5(10)1-2-7(6)11/h1-3,11H,4H2
InChIKey
XZTLAMYFEVPMLG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-5'-chloro-2'-hydroxyacetophenone
CAS: 52727-99-8
CID: 2756885
Formula: C8H6BrClO2
MW: 249.49
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight249.49
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass247.92397
Monoisotopic Mass247.92397
Topological Polar Surface Area37.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity174
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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