2-bromo-1-(2-bromophenyl)ethanone

C8H6Br2O — CID 2737522

IUPAC2-bromo-1-(2-bromophenyl)ethanone
SMILESO=C(CBr)c1ccccc1Br
InChIInChI=1S/C8H6Br2O/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4H,5H2
InChIKeyLAXPJIJQTHJGCK-UHFFFAOYSA-N
MW277.94 g/mol
LogP3.03
Rot. Bonds2

About 2-bromo-1-(2-bromophenyl)ethanone

2-bromo-1-(2-bromophenyl)ethanone (PubChem CID 2737522) has the molecular formula C8H6Br2O and a molecular weight of 277.94 g/mol. Its IUPAC name is 2-bromo-1-(2-bromophenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(2-bromophenyl)ethanone
PubChem CID2737522
Molecular FormulaC8H6Br2O
Molecular Weight277.94 g/mol
Exact Mass275.88
IUPAC Name2-bromo-1-(2-bromophenyl)ethanone
SMILESO=C(CBr)c1ccccc1Br
InChIInChI=1S/C8H6Br2O/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4H,5H2
InChIKeyLAXPJIJQTHJGCK-UHFFFAOYSA-N
XLogP3.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.94
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-acetylphenyl)-2-bromoethanone
CID 10037328
2-bromo-1-(2-bromo-3-hydroxyphenyl)ethanone
CID 130883630
1-(2-bromophenyl)-3,3-dimethylbutan-1-one
CID 71135058
1-(2-bromophenyl)-5-hydroxypentane-1,4-dione
CID 125478285
1-(2-bromophenyl)-4,4-dimethylpentane-1,3-dione
CID 28896266
2-(2-bromophenoxy)-1-(2-bromophenyl)ethanone
CID 60623805
1-(2-bromophenyl)-2-ethoxyethanone
CID 43799585
1-[2-(aminomethyl)phenyl]-2-bromoethanone
CID 150045580
2-bromo-1-[2-(difluoromethyl)phenyl]ethanone
CID 177183939
Se-(2-bromobenzoyl)selanyl 2-bromobenzenecarboselenoate
CID 14715010
2-bromo-1-(2-bromo-5-methylphenyl)ethanone
CID 81117333
2-bromo-1-(2-methylsulfanylphenyl)ethanone
CID 22462171

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-bromophenyl)ethanone?
The IUPAC name of 2-bromo-1-(2-bromophenyl)ethanone (CID 2737522) is 2-bromo-1-(2-bromophenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(2-bromophenyl)ethanone?
The canonical SMILES for 2-bromo-1-(2-bromophenyl)ethanone is O=C(CBr)c1ccccc1Br.
What is the InChIKey of 2-bromo-1-(2-bromophenyl)ethanone?
The InChIKey is LAXPJIJQTHJGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2O/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4H,5H2.
What are the key properties of 2-bromo-1-(2-bromophenyl)ethanone?
2-bromo-1-(2-bromophenyl)ethanone has a molecular weight of 277.94 g/mol, XLogP of 3.03, 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-bromophenyl)ethanone is sourced from PubChem (CID 2737522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).