Basic information
- CAS
89251-00-3- Standard SMILES
Brc1ccc(NCCCc2ccco2)cc1- InChIKey
GMDCYWRSFZAVBI-UHFFFAOYSA-N- Molecular formula
- C13H14BrNO
- Average molar mass
- 280.16 g/mol
- Monoisotopic mass
- 279.02588
Names & identifiers
- Preferred name
- 4-Bromo-N-[3-(furan-2-yl)propyl]aniline
- IUPAC
- 4-bromo-N-[3-(furan-2-yl)propyl]aniline
Names & synonyms
89251-00-34-Bromo-N-[3-(furan-2-yl)propyl]anilineDTXSID10545558
Database identifiers
- CAS
89251-00-3- PubChem CID
- 13636009
- DTXSID
DTXSID10545558
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 25.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 192
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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