Basic information
- CAS
18775-40-1- Standard SMILES
CCc1cc(Br)cc2cc(C(=O)CCl)oc12- InChIKey
SYSQCQYOHVPKJZ-UHFFFAOYSA-N- Molecular formula
- C12H10BrClO2
- Average molar mass
- 301.56 g/mol
- Monoisotopic mass
- 299.95527
Names & identifiers
- Preferred name
- 1-(5-Bromo-7-ethyl-2-benzofuryl)-2-chloroethan-1-one
- IUPAC
- 1-(5-bromo-7-ethyl-1-benzofuran-2-yl)-2-chloroethanone
- English name
- 1-(5-bromo-7-ethyl-2-benzofuryl)-2-chloroethan-1-one
- Molecular formula
- C12H10BrClO2
- Molecular weight
- 301.5636
Names & synonyms
18775-40-11-(5-Bromo-7-ethyl-2-benzofuryl)-2-chloroethan-1-one1-(5-Bromo-7-ethylbenzofuran-2-yl)-2-chloroethanone1-(5-bromo-7-ethyl-1-benzofuran-2-yl)-2-chloroethanoneEINECS 242-563-7SYSQCQYOHVPKJZ-UHFFFAOYSA-NH3GM4VX9SJDTXSID501720841-(5-bromo-7-ethyl-1-benzofuran-2-yl)-2-chloroethan-1-oneNS000261341-(5-Bromo-7-ethyl-2-benzofuranyl)-2-chloroethanoneEthanone, 1-(5-bromo-7-ethyl-2-benzofuranyl)-2-chloro-
Database identifiers
- CAS
18775-40-1- PubChem CID
- 87786
- DTXSID
DTXSID50172084- UNII
- H3GM4VX9SJ
- EC Number
- 242-563-7
- Nikkaji
- J222.300G
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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