Basic information
- Standard SMILES
OC[C@H]1COc2ccc(Br)cc2O1- InChIKey
FJGPKNZNSQTEAL-ZETCQYMHSA-N- Molecular formula
- C9H9BrO3
- Average molar mass
- 245.07 g/mol
Names & identifiers
- Preferred name
- (S)-(7-Bromo-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methanol
- IUPAC
- [(3S)-6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl]methanol
Names & synonyms
(S)-(7-Bromo-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methanol187543-81-31,4-Benzodioxin-2-methanol, 7-bromo-2,3-dihydro-, (2S)-SCHEMBL1019914SCHEMBL29444735HKP0270FJGPKNZNSQTEAL-ZETCQYMHSA-NH40313A1-01532[(2S)-7-bromo-2,3-dihydro-1,4-benzodioxin-2-yl]methanol
Database identifiers
- PubChem CID
- 23394142
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 176
Related reactions
3 records
Compound notes
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