Basic information
- CAS
63025-36-5- Standard SMILES
CCCCC1=C(Br)C(=C(Br)Br)OC1=O- InChIKey
VGADRJOQALVEDC-UHFFFAOYSA-N- Molecular formula
- C9H9Br3O2
- Average molar mass
- 388.88 g/mol
- Monoisotopic mass
- 385.81527
Names & identifiers
- Preferred name
- 2(5H)-Furanone, 4-bromo-3-butyl-5-(dibromomethylene)-
- IUPAC
- 4-bromo-3-butyl-5-(dibromomethylidene)furan-2-one
Names & synonyms
63025-36-52(5H)-Furanone, 4-bromo-3-butyl-5-(dibromomethylene)-DTXSID90327011RefChem:241785DTXCID80278124NSC6261554-bromo-3-butyl-5-(dibromomethylene)furan-2(5H)-oneCHEMBL450196SCHEMBL6745453NSC-626155NCI60_0082734-bromo-3-butyl-5-( dibromomethylene )-2(5h)-furanone
Show more names
4-Bromo-3-butyl-5-(dibromomethylidene)furan-2(5H)-one
Database identifiers
- CAS
63025-36-5- PubChem CID
- 362385
- DTXSID
DTXSID90327011- ChEMBL
CHEMBL450196- Nikkaji
- J1.074.291I
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 314
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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