Basic information
- CAS
6986-75-0- Standard SMILES
CC(C)c1ccc(OC(=O)c2ccc(Br)o2)cc1- InChIKey
NYENUWMNKIVRIT-UHFFFAOYSA-N- Molecular formula
- C14H13BrO3
- Average molar mass
- 309.15 g/mol
- Monoisotopic mass
- 308.00481
Names & identifiers
- Preferred name
- (4-Propan-2-ylphenyl) 5-bromofuran-2-carboxylate
- IUPAC
- (4-propan-2-ylphenyl) 5-bromofuran-2-carboxylate
Names & synonyms
6986-75-0(4-propan-2-ylphenyl) 5-bromofuran-2-carboxylateDTXSID00358816AKOS0030322924-(Propan-2-yl)phenyl 5-bromofuran-2-carboxylate
Database identifiers
- CAS
6986-75-0- PubChem CID
- 917899
- DTXSID
DTXSID00358816
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 285
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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