2-(2-bromophenyl)acetyl bromide

C8H6Br2O — CID 87290551

IUPAC2-(2-bromophenyl)acetyl bromide
SMILESO=C(Br)Cc1ccccc1Br
InChIInChI=1S/C8H6Br2O/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2
InChIKeyPBPLFXHHFQOSRB-UHFFFAOYSA-N
MW277.94 g/mol
LogP2.91
Rot. Bonds2

About 2-(2-bromophenyl)acetyl bromide

2-(2-bromophenyl)acetyl bromide (PubChem CID 87290551) has the molecular formula C8H6Br2O and a molecular weight of 277.94 g/mol. Its IUPAC name is 2-(2-bromophenyl)acetyl bromide.

Molecular Properties

Compound Name2-(2-bromophenyl)acetyl bromide
PubChem CID87290551
Molecular FormulaC8H6Br2O
Molecular Weight277.94 g/mol
Exact Mass275.88
IUPAC Name2-(2-bromophenyl)acetyl bromide
SMILESO=C(Br)Cc1ccccc1Br
InChIInChI=1S/C8H6Br2O/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2
InChIKeyPBPLFXHHFQOSRB-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromophenyl)-3,3-dimethylbutan-2-one
CID 59617524
1-(2-bromophenyl)pentane-2,3-dione
CID 173141263
[2-(2-bromophenyl)acetyl] propanoate
CID 90987383
1-(4-bromo-2-fluorophenyl)-3-(2-bromophenyl)propan-2-one
CID 63410152
2-(2-bromophenyl)-1-(4-iodophenyl)ethanone
CID 24723892
4-[(2-bromophenyl)methyl]benzoic acid
CID 116927223
1-(azetidin-3-yl)-2-(2-bromophenyl)ethanone
CID 116583679
1-(2-bromophenyl)-3-(ethylamino)propan-2-one
CID 116562504
2-(2-bromophenyl)-1-(2,4-dibromophenyl)ethanone
CID 114019079
(E)-1-(2-bromophenyl)hex-3-en-2-one
CID 103454323
1-(2-bromophenyl)-3-pyridin-4-ylpropan-2-one
CID 62551928
3-(2-bromophenyl)-N-hydroxypropanamide
CID 130732789

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)acetyl bromide?
The IUPAC name of 2-(2-bromophenyl)acetyl bromide (CID 87290551) is 2-(2-bromophenyl)acetyl bromide.
What is the SMILES notation for 2-(2-bromophenyl)acetyl bromide?
The canonical SMILES for 2-(2-bromophenyl)acetyl bromide is O=C(Br)Cc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)acetyl bromide?
The InChIKey is PBPLFXHHFQOSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2O/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2.
What are the key properties of 2-(2-bromophenyl)acetyl bromide?
2-(2-bromophenyl)acetyl bromide has a molecular weight of 277.94 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)acetyl bromide is sourced from PubChem (CID 87290551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).