3-Chloro-6-fluorodibenzofuran
Basic information
- CAS
2244899-42-9- Standard SMILES
Fc1cccc2c1oc1cc(Cl)ccc12- InChIKey
CMQFCMSVRKEUPO-UHFFFAOYSA-N- Molecular formula
- C12H6ClFO
- Average molar mass
- 220.62 g/mol
- Monoisotopic mass
- 220.0091207
Names & identifiers
- Preferred name
- 3-Chloro-6-fluorodibenzofuran
- IUPAC
- 3-chloro-6-fluorodibenzofuran
- English name
- 3-chloro-6-fluorodibenzo[b,d]furan
- Molecular formula
- C12H6ClFO
- Molecular weight
- 220.63
Names & synonyms
2244899-42-93-Chloro-6-fluorodibenzofuranSCHEMBL21638969SCHEMBL29934187DB-151784Dibenzofuran, 3-chloro-6-fluoro-3-chloro-6-fluorodibenzo[b,d]furan
Database identifiers
- CAS
2244899-42-9- PubChem CID
- 142436098
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 13.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Boiling point
- 326.6 · 326.6±22.0 °C(Predicted)
- Density
- 1.408 · 1.408±0.06 g/cm3(Predicted)
- InChI
- InChI=1S/C12H6ClFO/c13-7-4-5-8-9-2-1-3-10(14)12(9)15-11(8)6-7/h1-6H
- InChIKey
- CMQFCMSVRKEUPO-UHFFFAOYSA-N
- SMILES
- O1C2=C(F)C=CC=C2C2=CC=C(Cl)C=C12
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Compound notes
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