2-(4-bromophenyl)-2-oxoacetyl bromide

C8H4Br2O2 — CID 57469239

IUPAC2-(4-bromophenyl)-2-oxoacetyl bromide
SMILESO=C(Br)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C8H4Br2O2/c9-6-3-1-5(2-4-6)7(11)8(10)12/h1-4H
InChIKeyJZYRHQWQSULMIW-UHFFFAOYSA-N
MW291.93 g/mol
LogP2.55
Rot. Bonds2

About 2-(4-bromophenyl)-2-oxoacetyl bromide

2-(4-bromophenyl)-2-oxoacetyl bromide (PubChem CID 57469239) has the molecular formula C8H4Br2O2 and a molecular weight of 291.93 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-oxoacetyl bromide.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-oxoacetyl bromide
PubChem CID57469239
Molecular FormulaC8H4Br2O2
Molecular Weight291.93 g/mol
Exact Mass289.86
IUPAC Name2-(4-bromophenyl)-2-oxoacetyl bromide
SMILESO=C(Br)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C8H4Br2O2/c9-6-3-1-5(2-4-6)7(11)8(10)12/h1-4H
InChIKeyJZYRHQWQSULMIW-UHFFFAOYSA-N
XLogP2.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.93
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)-N-hydroxy-2-oxoacetamide
CID 131176742
4-bromobenzoic acid;copper
CID 67824318
2,2,2-tribromo-1-(4-bromophenyl)ethanone
CID 13089840
dimethyl (Z)-2,3-bis(4-bromobenzoyl)but-2-enedioate
CID 102211494
1-bromo-4-[1,2,2-tris(4-bromophenyl)ethenyl]benzene
CID 11828419
benzene;1-(4-bromophenyl)ethanone
CID 174710467
(E)-2-(4-bromophenyl)-1-phenylbut-2-en-1-one
CID 135044201
(Z)-2-(4-bromophenyl)but-2-enedioic acid
CID 11777948
4-bromo-N-(chloromethyl)benzamide
CID 29079018
1-(4-bromophenyl)-2-phosphanylethanone;hydrobromide
CID 173013220
1-bromo-4-[(E)-3-(4-bromophenyl)but-2-en-2-yl]benzene;1-(4-bromophenyl)ethanone
CID 157172690
1-(4-bromophenyl)-4-phenylbutane-1,2,4-trione
CID 162856895

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-oxoacetyl bromide?
The IUPAC name of 2-(4-bromophenyl)-2-oxoacetyl bromide (CID 57469239) is 2-(4-bromophenyl)-2-oxoacetyl bromide.
What is the SMILES notation for 2-(4-bromophenyl)-2-oxoacetyl bromide?
The canonical SMILES for 2-(4-bromophenyl)-2-oxoacetyl bromide is O=C(Br)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-oxoacetyl bromide?
The InChIKey is JZYRHQWQSULMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2O2/c9-6-3-1-5(2-4-6)7(11)8(10)12/h1-4H.
What are the key properties of 2-(4-bromophenyl)-2-oxoacetyl bromide?
2-(4-bromophenyl)-2-oxoacetyl bromide has a molecular weight of 291.93 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-oxoacetyl bromide is sourced from PubChem (CID 57469239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).