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

C8H6BrClO — CID 19702351

IUPAC1-(3-bromo-5-chlorophenyl)ethanone
SMILESCC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C8H6BrClO/c1-5(11)6-2-7(9)4-8(10)3-6/h2-4H,1H3
InChIKeyIEWFDTXICLHPTE-UHFFFAOYSA-N
MW233.49 g/mol
LogP3.31
Rot. Bonds1

About 1-(3-bromo-5-chlorophenyl)ethanone

1-(3-bromo-5-chlorophenyl)ethanone (PubChem CID 19702351) has the molecular formula C8H6BrClO and a molecular weight of 233.49 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)ethanone
PubChem CID19702351
Molecular FormulaC8H6BrClO
Molecular Weight233.49 g/mol
Exact Mass231.93
IUPAC Name1-(3-bromo-5-chlorophenyl)ethanone
SMILESCC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C8H6BrClO/c1-5(11)6-2-7(9)4-8(10)3-6/h2-4H,1H3
InChIKeyIEWFDTXICLHPTE-UHFFFAOYSA-N
XLogP3.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.49
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)ethanone?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)ethanone (CID 19702351) is 1-(3-bromo-5-chlorophenyl)ethanone.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)ethanone?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)ethanone is CC(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)ethanone?
The InChIKey is IEWFDTXICLHPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClO/c1-5(11)6-2-7(9)4-8(10)3-6/h2-4H,1H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)ethanone?
1-(3-bromo-5-chlorophenyl)ethanone has a molecular weight of 233.49 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chlorophenyl)ethanone is sourced from PubChem (CID 19702351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).