Propyl 4,6-dichloro-5-pyrimidinecarboxylate
Basic information
- CAS
87600-73-5- Standard SMILES
CCCOC(=O)c1c(Cl)ncnc1Cl- InChIKey
BWUSKOXCUHUNJK-UHFFFAOYSA-N- Molecular formula
- C8H8Cl2N2O2
- Average molar mass
- 235.06 g/mol
- Monoisotopic mass
- 233.9962829
Names & identifiers
- Preferred name
- Propyl 4,6-dichloro-5-pyrimidinecarboxylate
- IUPAC
- propyl 4,6-dichloropyrimidine-5-carboxylate
Names & synonyms
DTXSID901262309Propyl 4,6-dichloro-5-pyrimidinecarboxylatePropyl 4,6-dichloropyrimidine-5-carboxylate87600-73-5
Database identifiers
- CAS
87600-73-5- PubChem CID
- 147166155
- DTXSID
DTXSID901262309
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 194
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Compound notes
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