2-bromo-1-(2,4-dibromo-3-chlorophenyl)ethanone

C8H4Br3ClO — CID 171009965

IUPAC2-bromo-1-(2,4-dibromo-3-chlorophenyl)ethanone
SMILESO=C(CBr)c1ccc(Br)c(Cl)c1Br
InChIInChI=1S/C8H4Br3ClO/c9-3-6(13)4-1-2-5(10)8(12)7(4)11/h1-2H,3H2
InChIKeyXLZJXCIBKLADDZ-UHFFFAOYSA-N
MW391.28 g/mol
LogP4.44
Rot. Bonds2

About 2-bromo-1-(2,4-dibromo-3-chlorophenyl)ethanone

2-bromo-1-(2,4-dibromo-3-chlorophenyl)ethanone (PubChem CID 171009965) has the molecular formula C8H4Br3ClO and a molecular weight of 391.28 g/mol. Its IUPAC name is 2-bromo-1-(2,4-dibromo-3-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(2,4-dibromo-3-chlorophenyl)ethanone
PubChem CID171009965
Molecular FormulaC8H4Br3ClO
Molecular Weight391.28 g/mol
Exact Mass387.75
IUPAC Name2-bromo-1-(2,4-dibromo-3-chlorophenyl)ethanone
SMILESO=C(CBr)c1ccc(Br)c(Cl)c1Br
InChIInChI=1S/C8H4Br3ClO/c9-3-6(13)4-1-2-5(10)8(12)7(4)11/h1-2H,3H2
InChIKeyXLZJXCIBKLADDZ-UHFFFAOYSA-N
XLogP4.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.28
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1-(2-bromo-3,4-dichlorophenyl)ethanone
CID 171004805
1-(3-amino-4-bromo-2-chlorophenyl)-2-bromoethanone
CID 171012441
2-bromo-1-(2-bromo-3-hydroxyphenyl)ethanone
CID 130883630
2-bromo-1-(3,4-dichloro-2-hydroxyphenyl)ethanone
CID 54857524
2-bromo-1-(2-bromophenyl)ethanone
CID 2737522
2-bromo-1-(4-bromo-2-hydroxy-3-iodophenyl)ethanone
CID 171007259
2-bromo-1-(2-bromo-3-fluoro-4-methylphenyl)ethanone
CID 171007588
2-bromo-1-(6-bromo-2-chloro-3-methylphenyl)ethanone
CID 171032827
2-bromo-1-(3-bromo-2,4-difluorophenyl)ethanone
CID 122237020
2-bromo-1-(3-chloro-4-fluoro-2-methylphenyl)ethanone
CID 130839411
4-(2-bromoacetyl)-2,3-dichlorobenzonitrile
CID 171008228
2-bromo-1-(2-bromo-5-methylphenyl)ethanone
CID 81117333

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2,4-dibromo-3-chlorophenyl)ethanone?
The IUPAC name of 2-bromo-1-(2,4-dibromo-3-chlorophenyl)ethanone (CID 171009965) is 2-bromo-1-(2,4-dibromo-3-chlorophenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(2,4-dibromo-3-chlorophenyl)ethanone?
The canonical SMILES for 2-bromo-1-(2,4-dibromo-3-chlorophenyl)ethanone is O=C(CBr)c1ccc(Br)c(Cl)c1Br.
What is the InChIKey of 2-bromo-1-(2,4-dibromo-3-chlorophenyl)ethanone?
The InChIKey is XLZJXCIBKLADDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br3ClO/c9-3-6(13)4-1-2-5(10)8(12)7(4)11/h1-2H,3H2.
What are the key properties of 2-bromo-1-(2,4-dibromo-3-chlorophenyl)ethanone?
2-bromo-1-(2,4-dibromo-3-chlorophenyl)ethanone has a molecular weight of 391.28 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2,4-dibromo-3-chlorophenyl)ethanone is sourced from PubChem (CID 171009965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).