5-Bromo-2-octylpyrimidine
Basic information
- Standard SMILES
CCCCCCCCc1ncc(Br)cn1- InChIKey
HHKMMPJZWFQCFG-UHFFFAOYSA-N- Molecular formula
- C12H19BrN2
- Average molar mass
- 271.2 g/mol
- Monoisotopic mass
- 270.07316
Names & identifiers
- Preferred name
- 5-Bromo-2-octylpyrimidine
- IUPAC
- 5-bromo-2-octylpyrimidine
Names & synonyms
5-bromo-2-octylpyrimidineSCHEMBL8453984HHKMMPJZWFQCFG-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 53877451
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 145
Related reactions
1 records
Compound notes
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