Basic information
- Standard SMILES
OC1(c2cnc(Br)cn2)COC1- InChIKey
CMWHCXULVMLGTF-UHFFFAOYSA-N- Molecular formula
- C7H7BrN2O2
- Average molar mass
- 231.05 g/mol
- Monoisotopic mass
- 229.96909
Names & identifiers
- Preferred name
- 3-(5-Bromo-2-pyrazinyl)-3-oxetanol
- IUPAC
- 3-(5-bromopyrazin-2-yl)oxetan-3-ol
Names & synonyms
SCHEMBL15414744CMWHCXULVMLGTF-UHFFFAOYSA-N3-(5-Bromo-2-pyrazinyl)-3-oxetanol3-(5-Bromopyrazin-2-yl)oxetan-3-olDB-4239931536397-82-6
Database identifiers
- PubChem CID
- 89923398
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 55.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 175
Related reactions
1 records
Compound notes
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