3-bromo-4-fluorobenzoyl bromide

C7H3Br2FO — CID 3018761

IUPAC3-bromo-4-fluorobenzoyl bromide
SMILESO=C(Br)c1ccc(F)c(Br)c1
InChIInChI=1S/C7H3Br2FO/c8-5-3-4(7(9)11)1-2-6(5)10/h1-3H
InChIKeyMADVJOUJBMNYJF-UHFFFAOYSA-N
MW281.91 g/mol
LogP3.12
Rot. Bonds1

About 3-bromo-4-fluorobenzoyl bromide

3-bromo-4-fluorobenzoyl bromide (PubChem CID 3018761) has the molecular formula C7H3Br2FO and a molecular weight of 281.91 g/mol. Its IUPAC name is 3-bromo-4-fluorobenzoyl bromide.

Molecular Properties

Compound Name3-bromo-4-fluorobenzoyl bromide
PubChem CID3018761
Molecular FormulaC7H3Br2FO
Molecular Weight281.91 g/mol
Exact Mass279.85
IUPAC Name3-bromo-4-fluorobenzoyl bromide
SMILESO=C(Br)c1ccc(F)c(Br)c1
InChIInChI=1S/C7H3Br2FO/c8-5-3-4(7(9)11)1-2-6(5)10/h1-3H
InChIKeyMADVJOUJBMNYJF-UHFFFAOYSA-N
XLogP3.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.91
LogP ≤ 53.12
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

2-bromo-1-(3-bromo-4-fluorophenyl)ethanone
CID 2782783
1-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)ethanone
CID 79737324
2-bromo-1-(3-bromo-4-fluorophenyl)-2-chloroethanone
CID 155932134
(E)-3-(3-bromo-4-fluorophenyl)but-2-enoic acid
CID 166092218
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanone
CID 79736368
3-bromo-4-fluorobenzoyl isocyanate
CID 107948685
1-(3-bromo-4-fluorophenyl)-3-chloropropan-1-one
CID 82122677
(3-bromo-4-fluorophenyl)-(5-methylfuran-2-yl)methanone
CID 79735004
3-bromo-4-fluorobenzenecarbothioamide
CID 79023809
1-(3-bromo-4-fluorophenyl)pentan-1-one
CID 79736061
2-(3-bromo-4-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 63411740
3-bromo-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
CID 103707329

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluorobenzoyl bromide?
The IUPAC name of 3-bromo-4-fluorobenzoyl bromide (CID 3018761) is 3-bromo-4-fluorobenzoyl bromide.
What is the SMILES notation for 3-bromo-4-fluorobenzoyl bromide?
The canonical SMILES for 3-bromo-4-fluorobenzoyl bromide is O=C(Br)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-4-fluorobenzoyl bromide?
The InChIKey is MADVJOUJBMNYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br2FO/c8-5-3-4(7(9)11)1-2-6(5)10/h1-3H.
What are the key properties of 3-bromo-4-fluorobenzoyl bromide?
3-bromo-4-fluorobenzoyl bromide has a molecular weight of 281.91 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluorobenzoyl bromide is sourced from PubChem (CID 3018761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).