2'-Bromo-3'-chloroacetophenone

CAT: 0127-OR400188-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR400188-01Size:100 mg

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CAS Number

161957-60-4

MDL Number

MFCD18390297

Purity

98%

Smiles

CC(=O)c1cccc(Cl)c1Br

Chemical Information

1-(2-Bromo-3-chlorophenyl)ethanone

CAS Number	161957-60-4
PubChem CID	53986828
IUPAC Name	1-(2-bromo-3-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(=CC=C1)Cl)Br

InChI

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

InChIKey

KCCOVPPONJFFDS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 161957-60-4

CID: 53986828

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
sc-254165	2-Bromo-3'-chloroacetophenone
sc-357068A	5'-Bromo-2'-chloroacetophenone
424279-01	3-Bromo-4-chloroacetophenone
266497-01	4'-Bromo-3'-chloroacetophenone
262043-01	2-Bromo-4-chloroacetophenone
LAC43838	2'-Bromo-6'-chloroacetophenone
abx183099-01	2-Bromo-4'-chloroacetophenone
B19610-01	A-Bromo-p-chloroacetophenone 97%
270211-01	3'-Chloroacetophenone
FC20180-01	2'-Chloroacetophenone