4-Bromo-2-(4-methylphenyl)pyrimidine
Basic information
- CAS
1086382-01-5- Standard SMILES
Cc1ccc(-c2nccc(Br)n2)cc1- InChIKey
SZLXXZQCNVLUOD-UHFFFAOYSA-N- Molecular formula
- C11H9BrN2
- Average molar mass
- 249.11 g/mol
- Monoisotopic mass
- 247.99491
Names & identifiers
- Preferred name
- 4-Bromo-2-(4-methylphenyl)pyrimidine
- IUPAC
- 4-bromo-2-(4-methylphenyl)pyrimidine
Names & synonyms
4-bromo-2-(4-methylphenyl)pyrimidine1086382-01-5SCHEMBL12441003DTXSID401278739AKOS022554623Pyrimidine, 4-bromo-2-(4-methylphenyl)-
Database identifiers
- CAS
1086382-01-5- PubChem CID
- 58352121
- DTXSID
DTXSID401278739
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 178
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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