2-bromo-1-(2-bromo-3,4-dichlorophenyl)ethanone

C8H4Br2Cl2O — CID 171004805

IUPAC2-bromo-1-(2-bromo-3,4-dichlorophenyl)ethanone
SMILESO=C(CBr)c1ccc(Cl)c(Cl)c1Br
InChIInChI=1S/C8H4Br2Cl2O/c9-3-6(13)4-1-2-5(11)8(12)7(4)10/h1-2H,3H2
InChIKeyQAMCYRBRBPOCEH-UHFFFAOYSA-N
MW346.83 g/mol
LogP4.33
Rot. Bonds2

About 2-bromo-1-(2-bromo-3,4-dichlorophenyl)ethanone

2-bromo-1-(2-bromo-3,4-dichlorophenyl)ethanone (PubChem CID 171004805) has the molecular formula C8H4Br2Cl2O and a molecular weight of 346.83 g/mol. Its IUPAC name is 2-bromo-1-(2-bromo-3,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(2-bromo-3,4-dichlorophenyl)ethanone
PubChem CID171004805
Molecular FormulaC8H4Br2Cl2O
Molecular Weight346.83 g/mol
Exact Mass343.80
IUPAC Name2-bromo-1-(2-bromo-3,4-dichlorophenyl)ethanone
SMILESO=C(CBr)c1ccc(Cl)c(Cl)c1Br
InChIInChI=1S/C8H4Br2Cl2O/c9-3-6(13)4-1-2-5(11)8(12)7(4)10/h1-2H,3H2
InChIKeyQAMCYRBRBPOCEH-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
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-(2,4-dibromo-3-chlorophenyl)ethanone
CID 171009965
2-bromo-1-(3,4-dichloro-2-hydroxyphenyl)ethanone
CID 54857524
2-bromo-1-(2,3,6-trichlorophenyl)ethanone
CID 82629678
2-bromo-1-(2-bromo-3-chloro-6-fluorophenyl)ethanone
CID 122235406
1-(3-amino-4-bromo-2-chlorophenyl)-2-bromoethanone
CID 171012441
2-bromo-1-(2-bromo-3-hydroxyphenyl)ethanone
CID 130883630
2-(2-bromo-3,4-dichlorophenyl)acetic acid
CID 54442363
2-bromo-1-(2-bromo-3-ethylphenyl)ethanone
CID 130066516
2-bromo-1-(2-bromo-3-fluoro-4-methylphenyl)ethanone
CID 171007588
2-bromo-1-(2,3-dichloro-6-methylphenyl)ethanone
CID 130822903
2-bromo-1-(2,3-dichloro-6-iodophenyl)ethanone
CID 171006521
1-(3-amino-2-bromo-6-chlorophenyl)-2-bromoethanone
CID 171012372

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-bromo-3,4-dichlorophenyl)ethanone?
The IUPAC name of 2-bromo-1-(2-bromo-3,4-dichlorophenyl)ethanone (CID 171004805) is 2-bromo-1-(2-bromo-3,4-dichlorophenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(2-bromo-3,4-dichlorophenyl)ethanone?
The canonical SMILES for 2-bromo-1-(2-bromo-3,4-dichlorophenyl)ethanone is O=C(CBr)c1ccc(Cl)c(Cl)c1Br.
What is the InChIKey of 2-bromo-1-(2-bromo-3,4-dichlorophenyl)ethanone?
The InChIKey is QAMCYRBRBPOCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2Cl2O/c9-3-6(13)4-1-2-5(11)8(12)7(4)10/h1-2H,3H2.
What are the key properties of 2-bromo-1-(2-bromo-3,4-dichlorophenyl)ethanone?
2-bromo-1-(2-bromo-3,4-dichlorophenyl)ethanone has a molecular weight of 346.83 g/mol, XLogP of 4.33, 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-bromo-3,4-dichlorophenyl)ethanone is sourced from PubChem (CID 171004805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).