Basic information
- CAS
1353855-99-8- Standard SMILES
COc1cccc(-c2cnc(Br)nc2)c1- InChIKey
HBRWJLVWZJPREJ-UHFFFAOYSA-N- Molecular formula
- C11H9BrN2O
- Average molar mass
- 265.11 g/mol
- Monoisotopic mass
- 263.98983
Names & identifiers
- Preferred name
- 2-Bromo-5-(3-methoxyphenyl)pyrimidine
- IUPAC
- 2-bromo-5-(3-methoxyphenyl)pyrimidine
Names & synonyms
2-bromo-5-(3-methoxyphenyl)pyrimidine1353855-99-8DTXSID701277409AKOS015942319CS-43199Pyrimidine, 2-bromo-5-(3-methoxyphenyl)-
Database identifiers
- CAS
1353855-99-8- PubChem CID
- 66520190
- DTXSID
DTXSID701277409
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 195
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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