1-(5-bromo-2-chlorophenyl)-2-chloroethanone

C8H5BrCl2O — CID 79018243

IUPAC1-(5-bromo-2-chlorophenyl)-2-chloroethanone
SMILESO=C(CCl)c1cc(Br)ccc1Cl
InChIInChI=1S/C8H5BrCl2O/c9-5-1-2-7(11)6(3-5)8(12)4-10/h1-3H,4H2
InChIKeyOWNKAZHHXUABPU-UHFFFAOYSA-N
MW267.94 g/mol
LogP3.52
Rot. Bonds2

About 1-(5-bromo-2-chlorophenyl)-2-chloroethanone

1-(5-bromo-2-chlorophenyl)-2-chloroethanone (PubChem CID 79018243) has the molecular formula C8H5BrCl2O and a molecular weight of 267.94 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-2-chloroethanone.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-2-chloroethanone
PubChem CID79018243
Molecular FormulaC8H5BrCl2O
Molecular Weight267.94 g/mol
Exact Mass265.89
IUPAC Name1-(5-bromo-2-chlorophenyl)-2-chloroethanone
SMILESO=C(CCl)c1cc(Br)ccc1Cl
InChIInChI=1S/C8H5BrCl2O/c9-5-1-2-7(11)6(3-5)8(12)4-10/h1-3H,4H2
InChIKeyOWNKAZHHXUABPU-UHFFFAOYSA-N
XLogP3.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.94
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-(2,5-dibromo-3-chlorophenyl)ethanone
CID 171009449
1-(5-bromo-2-chlorophenyl)pent-4-en-1-one
CID 114974896
1-(5-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865270
potassium 5-bromo-2-chlorobenzoate
CID 23680159
sodium 5-bromo-2-chlorobenzoate
CID 138319500
1-(5-bromo-2-chlorophenyl)-2-thiophen-3-ylethanone
CID 61054270
1-(5-bromo-2-chlorophenyl)-4-ethylsulfonylbutan-1-one
CID 114974512
1-(5-bromo-2-chlorophenyl)-3-methylhexan-1-one
CID 114968707
1-(2-bromo-4-chloro-3-iodophenyl)-2-chloroethanone
CID 171001060
1-(5-bromo-2-chlorophenyl)-2-(thian-4-yl)ethanone
CID 83135686
5-bromo-2-chloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 55659264
1-(2-bromo-4-chlorophenyl)-2-chloroethanone
CID 103693977

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-2-chloroethanone?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-2-chloroethanone (CID 79018243) is 1-(5-bromo-2-chlorophenyl)-2-chloroethanone.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-2-chloroethanone?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-2-chloroethanone is O=C(CCl)c1cc(Br)ccc1Cl.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-2-chloroethanone?
The InChIKey is OWNKAZHHXUABPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrCl2O/c9-5-1-2-7(11)6(3-5)8(12)4-10/h1-3H,4H2.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-2-chloroethanone?
1-(5-bromo-2-chlorophenyl)-2-chloroethanone has a molecular weight of 267.94 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)-2-chloroethanone is sourced from PubChem (CID 79018243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).