2-Bromo-3'-chloroacetophenone

CAT: 0024-sc-254165Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-254165Size:1 g

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CAS Number

41011-01-2

Chemical Information

2-Bromo-3'-chloroacetophenone

CAS Number	41011-01-2
PubChem CID	38738
IUPAC Name	2-bromo-1-(3-chlorophenyl)ethanone
Molecular Formula	C8H6BrClO
Molecular Weight	233.49
XLogP	3.3
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	149

SMILES

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

InChI

InChI=1S/C8H6BrClO/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4H,5H2

InChIKey

KJVRURZDIOVSSQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 41011-01-2

CID: 38738

Formula: C8H6BrClO

MW: 233.49

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	233.49
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	231.92906
Monoisotopic Mass	231.92906
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	149
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
sc-357068A	5'-Bromo-2'-chloroacetophenone
sc-357068	5'-Bromo-2'-chloroacetophenone
sc-209374	2'-Hydroxy-3-chloroacetophenone
sc-352201A	2-Amino-4′-chloroacetophenone
sc-352201	2-Amino-4′-chloroacetophenone
sc-260739	3-Bromo-2-fluorobenzaldehyde
sc-484421	2'-Bromo-3-fluoropropiophenone
sc-259577	2-Bromo-3-cyanothiophene
sc-274377	2-bromo-3-phenylpropanenitrile
sc-229987	2-Bromo-3-iodopyridine