Basic information
- CAS
89793-72-6- Standard SMILES
CCCc1nc(Cl)nc(Cl)c1Cl- InChIKey
CTWZDJNHFGLAMG-UHFFFAOYSA-N- Molecular formula
- C7H7Cl3N2
- Average molar mass
- 225.5 g/mol
- Monoisotopic mass
- 223.967481
Names & identifiers
- Preferred name
- 2,4,5-Trichloro-6-propylpyrimidine
- IUPAC
- 2,4,5-trichloro-6-propylpyrimidine
Names & synonyms
2,4,5-trichloro-6-propylpyrimidine89793-72-6NSC58574CHEMBL2006706DTXSID80289018NSC-58574Pyrimidine,4,5-trichloro-6-propyl-NCI60_004428
Database identifiers
- CAS
89793-72-6- PubChem CID
- 246016
- DTXSID
DTXSID80289018- ChEMBL
CHEMBL2006706
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 145
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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