Basic information
- CAS
125974-02-9- Standard SMILES
O=C1C=C(CCl)C(Br)O1- InChIKey
APQPIVWGQHTRLX-UHFFFAOYSA-N- Molecular formula
- C5H4BrClO2
- Average molar mass
- 211.44 g/mol
- Monoisotopic mass
- 209.90832
Names & identifiers
- Preferred name
- 5-Bromo-4-(chloromethyl)-5h-furan-2-one
- IUPAC
- 2-bromo-3-(chloromethyl)-2H-furan-5-one
Names & synonyms
125974-02-95-bromo-4-(chloromethyl)-5h-furan-2-oneDTXSID909253345-bromo-4-(chloromethyl)furan-2(5H)-one
Database identifiers
- CAS
125974-02-9- PubChem CID
- 180409
- DTXSID
DTXSID90925334- Nikkaji
- J2.015.243E
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 166
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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