2-(tribromomethyl)benzoyl bromide

C8H4Br4O — CID 23326120

IUPAC2-(tribromomethyl)benzoyl bromide
SMILESO=C(Br)c1ccccc1C(Br)(Br)Br
InChIInChI=1S/C8H4Br4O/c9-7(13)5-3-1-2-4-6(5)8(10,11)12/h1-4H
InChIKeyOMKFQTPWCDBPSA-UHFFFAOYSA-N
MW435.74 g/mol
LogP4.52
Rot. Bonds1

About 2-(tribromomethyl)benzoyl bromide

2-(tribromomethyl)benzoyl bromide (PubChem CID 23326120) has the molecular formula C8H4Br4O and a molecular weight of 435.74 g/mol. Its IUPAC name is 2-(tribromomethyl)benzoyl bromide.

Molecular Properties

Compound Name2-(tribromomethyl)benzoyl bromide
PubChem CID23326120
Molecular FormulaC8H4Br4O
Molecular Weight435.74 g/mol
Exact Mass431.70
IUPAC Name2-(tribromomethyl)benzoyl bromide
SMILESO=C(Br)c1ccccc1C(Br)(Br)Br
InChIInChI=1S/C8H4Br4O/c9-7(13)5-3-1-2-4-6(5)8(10,11)12/h1-4H
InChIKeyOMKFQTPWCDBPSA-UHFFFAOYSA-N
XLogP4.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.74
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-Naphthoquinone
CID 10667
Phenacyl bromide
CID 6259
2-Methylacetophenone
CID 11340
2-Bromopropiophenone
CID 16452
2,3-Dibromo-1,4-naphthoquinone
CID 83259
1,4-Naphthalenedione, 2-bromo-
CID 74944
Benzoyl bromide
CID 12056
2-Bromo-3-methyl-1,4-naphthoquinone
CID 123179
2-Bromo-1-(3,4-dimethylphenyl)ethan-1-one
CID 3703113
2-Bromo-1-(4-fluorophenyl)ethan-1-one
CID 96749
2-(Prop-2-en-1-yl)benzaldehyde
CID 329750
3-Fluorophenacyl bromide
CID 2737451

Frequently Asked Questions

What is the IUPAC name of 2-(tribromomethyl)benzoyl bromide?
The IUPAC name of 2-(tribromomethyl)benzoyl bromide (CID 23326120) is 2-(tribromomethyl)benzoyl bromide.
What is the SMILES notation for 2-(tribromomethyl)benzoyl bromide?
The canonical SMILES for 2-(tribromomethyl)benzoyl bromide is O=C(Br)c1ccccc1C(Br)(Br)Br.
What is the InChIKey of 2-(tribromomethyl)benzoyl bromide?
The InChIKey is OMKFQTPWCDBPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br4O/c9-7(13)5-3-1-2-4-6(5)8(10,11)12/h1-4H.
What are the key properties of 2-(tribromomethyl)benzoyl bromide?
2-(tribromomethyl)benzoyl bromide has a molecular weight of 435.74 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tribromomethyl)benzoyl bromide is sourced from PubChem (CID 23326120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).