4-bromo-2-fluorobenzoyl chloride

C7H3BrClFO — CID 2734026

IUPAC4-bromo-2-fluorobenzoyl chloride
SMILESO=C(Cl)c1ccc(Br)cc1F
InChIInChI=1S/C7H3BrClFO/c8-4-1-2-5(7(9)11)6(10)3-4/h1-3H
InChIKeyPCFIABOQFAFDAU-UHFFFAOYSA-N
MW237.45 g/mol
LogP2.97
Rot. Bonds1

About 4-bromo-2-fluorobenzoyl chloride

4-bromo-2-fluorobenzoyl chloride (PubChem CID 2734026) has the molecular formula C7H3BrClFO and a molecular weight of 237.45 g/mol. Its IUPAC name is 4-bromo-2-fluorobenzoyl chloride.

Molecular Properties

Compound Name4-bromo-2-fluorobenzoyl chloride
PubChem CID2734026
Molecular FormulaC7H3BrClFO
Molecular Weight237.45 g/mol
Exact Mass235.90
IUPAC Name4-bromo-2-fluorobenzoyl chloride
SMILESO=C(Cl)c1ccc(Br)cc1F
InChIInChI=1S/C7H3BrClFO/c8-4-1-2-5(7(9)11)6(10)3-4/h1-3H
InChIKeyPCFIABOQFAFDAU-UHFFFAOYSA-N
XLogP2.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.45
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluorobenzoyl chloride?
The IUPAC name of 4-bromo-2-fluorobenzoyl chloride (CID 2734026) is 4-bromo-2-fluorobenzoyl chloride.
What is the SMILES notation for 4-bromo-2-fluorobenzoyl chloride?
The canonical SMILES for 4-bromo-2-fluorobenzoyl chloride is O=C(Cl)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluorobenzoyl chloride?
The InChIKey is PCFIABOQFAFDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClFO/c8-4-1-2-5(7(9)11)6(10)3-4/h1-3H.
What are the key properties of 4-bromo-2-fluorobenzoyl chloride?
4-bromo-2-fluorobenzoyl chloride has a molecular weight of 237.45 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluorobenzoyl chloride is sourced from PubChem (CID 2734026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).