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Retrosynthesis · AI + evidence

1-(3-Bromo-4-fluorophenyl)ethanone (C8H6BrFO)

1-(3-Bromo-4-fluorophenyl)ethanone presents a C8 framework, aromatic rings, halogen substitution (formula C8H6BrFO, CAS 1007-15-4). ChemicalTool Reaction can propose ranked disconnections for 1-(3-Bromo-4-fluorophenyl)ethanone from the SMILES CC(=O)c1ccc(F)c(Br)c1.

Target
1-(3-Bromo-4-fluorophenyl)ethanone
CAS
1007-15-4
Formula
C8H6BrFO
Approx. MW
217.04
SMILES
CC(=O)c1ccc(F)c(Br)c1
PubChem CID
70508
Approx. carbons
C8

1-(3-Bromo-4-fluorophenyl)ethanone structure

Properties

IUPAC name
1-(3-bromo-4-fluorophenyl)ethanone
Common names
1007-15-4; 1-(3-Bromo-4-fluorophenyl)ethanone; 1-(3-Bromo-4-fluorophenyl)ethan-1-one; EINECS 213-750-0; SZDWTGAORQQQGY-UHFFFAOYSA-; DTXSID50143456; RefChem:423383; DTXCID4065947; 213-750-0; InChI=1/C8H6BrFO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-4H,1H3
Molecular weight
217.03
Exact mass
215.96
InChIKey
SZDWTGAORQQQGY-UHFFFAOYSA-N

View on PubChem

1-(3-Bromo-4-fluorophenyl)ethanone 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 1-(3-Bromo-4-fluorophenyl)ethanone?

1-(3-Bromo-4-fluorophenyl)ethanone has molecular formula C8H6BrFO. Molecular weight about 217.04 g·mol⁻¹.

What is the CAS number of 1-(3-Bromo-4-fluorophenyl)ethanone?

The CAS Registry Number for 1-(3-Bromo-4-fluorophenyl)ethanone is 1007-15-4.

Run AI retrosynthesis for 1-(3-Bromo-4-fluorophenyl)ethanone Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C8H6BrFO.

Related targets

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(1-Bromoethyl)benzene(2-Chloroethoxy)benzene(2-Chloroethyl)benzene(Chloroethynyl)benzene[(2-Chloroethyl)sulfonyl]benzene1-(4-Iodophenyl)ethan-1-one

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References & tools