2-chloro-1-(2,5-dibromo-3-chlorophenyl)ethanone

C8H4Br2Cl2O — CID 171009449

IUPAC2-chloro-1-(2,5-dibromo-3-chlorophenyl)ethanone
SMILESO=C(CCl)c1cc(Br)cc(Cl)c1Br
InChIInChI=1S/C8H4Br2Cl2O/c9-4-1-5(7(13)3-11)8(10)6(12)2-4/h1-2H,3H2
InChIKeyZWEUBCXZPWQLKM-UHFFFAOYSA-N
MW346.83 g/mol
LogP4.29
Rot. Bonds2

About 2-chloro-1-(2,5-dibromo-3-chlorophenyl)ethanone

2-chloro-1-(2,5-dibromo-3-chlorophenyl)ethanone (PubChem CID 171009449) has the molecular formula C8H4Br2Cl2O and a molecular weight of 346.83 g/mol. Its IUPAC name is 2-chloro-1-(2,5-dibromo-3-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(2,5-dibromo-3-chlorophenyl)ethanone
PubChem CID171009449
Molecular FormulaC8H4Br2Cl2O
Molecular Weight346.83 g/mol
Exact Mass343.80
IUPAC Name2-chloro-1-(2,5-dibromo-3-chlorophenyl)ethanone
SMILESO=C(CCl)c1cc(Br)cc(Cl)c1Br
InChIInChI=1S/C8H4Br2Cl2O/c9-4-1-5(7(13)3-11)8(10)6(12)2-4/h1-2H,3H2
InChIKeyZWEUBCXZPWQLKM-UHFFFAOYSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.83
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-2-chlorophenyl)-2-chloroethanone
CID 79018243
1-(4-bromo-3,5-dichlorophenyl)-2-chloroethanone
CID 171004358
ethyl 2,5-dibromo-3-chlorobenzoate
CID 114374037
2-bromo-1-(2-bromo-3-chloro-5-methylphenyl)ethanone
CID 171032809
1-(2-amino-4-bromo-6-chlorophenyl)-2-chloroethanone
CID 171011742
1-(5-bromo-3-iodo-2-methylphenyl)-2-chloroethanone
CID 171033538
1-(5-bromo-2-iodo-3-methylphenyl)-2-chloroethanone
CID 171033536
1-(5-bromo-3-fluoro-2-iodophenyl)-2-chloroethanone
CID 131620004
1-(2-amino-5-bromo-3-chlorophenyl)propan-1-one
CID 66920482
1-(5-bromo-2-hydroxy-3-methoxyphenyl)-2-chloroethanone
CID 131289600
1-(2-bromo-4-chloro-5-methylphenyl)-2-chloroethanone
CID 83988426
1-(2-bromo-4-chloro-3-iodophenyl)-2-chloroethanone
CID 171001060

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2,5-dibromo-3-chlorophenyl)ethanone?
The IUPAC name of 2-chloro-1-(2,5-dibromo-3-chlorophenyl)ethanone (CID 171009449) is 2-chloro-1-(2,5-dibromo-3-chlorophenyl)ethanone.
What is the SMILES notation for 2-chloro-1-(2,5-dibromo-3-chlorophenyl)ethanone?
The canonical SMILES for 2-chloro-1-(2,5-dibromo-3-chlorophenyl)ethanone is O=C(CCl)c1cc(Br)cc(Cl)c1Br.
What is the InChIKey of 2-chloro-1-(2,5-dibromo-3-chlorophenyl)ethanone?
The InChIKey is ZWEUBCXZPWQLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2Cl2O/c9-4-1-5(7(13)3-11)8(10)6(12)2-4/h1-2H,3H2.
What are the key properties of 2-chloro-1-(2,5-dibromo-3-chlorophenyl)ethanone?
2-chloro-1-(2,5-dibromo-3-chlorophenyl)ethanone has a molecular weight of 346.83 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2,5-dibromo-3-chlorophenyl)ethanone is sourced from PubChem (CID 171009449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).