Basic information
- CAS
1378697-36-9- Standard SMILES
CCCc1c(Cl)ncnc1Oc1ccc(Br)cc1Br- InChIKey
BZNHHOAXJQLDBT-UHFFFAOYSA-N- Molecular formula
- C13H11Br2ClN2O
- Average molar mass
- 406.5 g/mol
- Monoisotopic mass
- 403.89267
Names & identifiers
- Preferred name
- 4-Chloro-6-(2,4-dibromophenoxy)-5-propylpyrimidine
- IUPAC
- 4-chloro-6-(2,4-dibromophenoxy)-5-propylpyrimidine
Names & synonyms
DTXSID901214398AKOS0140463744-chloro-6-(2,4-dibromophenoxy)-5-propylpyrimidinePyrimidine, 4-chloro-6-(2,4-dibromophenoxy)-5-propyl-1378697-36-9
Database identifiers
- CAS
1378697-36-9- PubChem CID
- 64718656
- DTXSID
DTXSID901214398
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 285
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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