Basic information
- Standard SMILES
OCC=Cc1ccc(-c2ncc(Br)cn2)cc1- InChIKey
JEAHXUNOOMOWIA-UHFFFAOYSA-N- Molecular formula
- C13H11BrN2O
- Average molar mass
- 291.14 g/mol
Names & identifiers
- Preferred name
- 3-[4-(5-Bromopyrimidin-2-yl)phenyl]prop-2-en-1-ol
- IUPAC
- 3-[4-(5-bromopyrimidin-2-yl)phenyl]prop-2-en-1-ol
Names & synonyms
SCHEMBL6876935
Database identifiers
- PubChem CID
- 69924671
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 46 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 244
Related reactions
1 records
Compound notes
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