3'-Bromo-5'-chloroacetophenone

CAT: 0127-OR400317-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR400317-01Size:1 g

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CAS Number

154257-85-9

Synonyms

1- (3-Bromo-5-chlorophenyl) ethanone

MDL Number

MFCD13189467

Purity

=95%

Smiles

CC(=O)c1cc(Cl)cc(Br)c1

Chemical Information

1-(3-Bromo-5-chlorophenyl)ethanone

CAS Number	154257-85-9
PubChem CID	19702351
IUPAC Name	1-(3-bromo-5-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=CC(=CC(=C1)Br)Cl

InChI

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

InChIKey

IEWFDTXICLHPTE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 154257-85-9

CID: 19702351

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-357068A	5'-Bromo-2'-chloroacetophenone
424279-01	3-Bromo-4-chloroacetophenone
266497-01	4'-Bromo-3'-chloroacetophenone
sc-254165	2-Bromo-3'-chloroacetophenone
B19610-01	A-Bromo-p-chloroacetophenone 97%
262043-01	2-Bromo-4-chloroacetophenone
LAC43838	2'-Bromo-6'-chloroacetophenone
abx183099-01	2-Bromo-4'-chloroacetophenone
270211-01	3'-Chloroacetophenone
427677-01	3’-Chloroacetophenone