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

C8H5Br2ClO — CID 79018226

IUPAC2-bromo-1-(5-bromo-2-chlorophenyl)ethanone
SMILESO=C(CBr)c1cc(Br)ccc1Cl
InChIInChI=1S/C8H5Br2ClO/c9-4-8(12)6-3-5(10)1-2-7(6)11/h1-3H,4H2
InChIKeyCPYOJYNOGRYUIQ-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.68
Rot. Bonds2

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

2-bromo-1-(5-bromo-2-chlorophenyl)ethanone (PubChem CID 79018226) has the molecular formula C8H5Br2ClO and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-bromo-1-(5-bromo-2-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(5-bromo-2-chlorophenyl)ethanone
PubChem CID79018226
Molecular FormulaC8H5Br2ClO
Molecular Weight312.39 g/mol
Exact Mass309.84
IUPAC Name2-bromo-1-(5-bromo-2-chlorophenyl)ethanone
SMILESO=C(CBr)c1cc(Br)ccc1Cl
InChIInChI=1S/C8H5Br2ClO/c9-4-8(12)6-3-5(10)1-2-7(6)11/h1-3H,4H2
InChIKeyCPYOJYNOGRYUIQ-UHFFFAOYSA-N
XLogP3.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(5-bromo-2-chlorophenyl)ethanone?
The IUPAC name of 2-bromo-1-(5-bromo-2-chlorophenyl)ethanone (CID 79018226) is 2-bromo-1-(5-bromo-2-chlorophenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(5-bromo-2-chlorophenyl)ethanone?
The canonical SMILES for 2-bromo-1-(5-bromo-2-chlorophenyl)ethanone is O=C(CBr)c1cc(Br)ccc1Cl.
What is the InChIKey of 2-bromo-1-(5-bromo-2-chlorophenyl)ethanone?
The InChIKey is CPYOJYNOGRYUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2ClO/c9-4-8(12)6-3-5(10)1-2-7(6)11/h1-3H,4H2.
What are the key properties of 2-bromo-1-(5-bromo-2-chlorophenyl)ethanone?
2-bromo-1-(5-bromo-2-chlorophenyl)ethanone has a molecular weight of 312.39 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(5-bromo-2-chlorophenyl)ethanone is sourced from PubChem (CID 79018226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).