Ethyl 4-chloro-2-ethoxypyrimidine-5-carboxylate
Basic information
- CAS
79614-52-1- Standard SMILES
CCOC(=O)c1cnc(OCC)nc1Cl- InChIKey
GRLKBTHCYBPJBT-UHFFFAOYSA-N- Molecular formula
- C9H11ClN2O3
- Average molar mass
- 230.65 g/mol
- Monoisotopic mass
- 230.0458199
Names & identifiers
- Preferred name
- Ethyl 4-chloro-2-ethoxypyrimidine-5-carboxylate
- IUPAC
- ethyl 4-chloro-2-ethoxypyrimidine-5-carboxylate
- English name
- ethyl 4-chloro-2-ethoxypyrimidine-5-carboxylate
- Molecular formula
- C9H11ClN2O3
- Molecular weight
- 230.65
Names & synonyms
Ethyl 4-chloro-2-ethoxypyrimidine-5-carboxylate79614-52-1EINECS 279-197-2SCHEMBL11098691GRLKBTHCYBPJBT-UHFFFAOYSA-NDTXSID801000625NS000623014-Chloro-2-ethoxy-5-pyrimidinecarboxylic acid ethyl ester5-Pyrimidinecarboxylic acid, 4-chloro-2-ethoxy-, ethyl ester
Database identifiers
- CAS
79614-52-1- PubChem CID
- 3018845
- DTXSID
DTXSID801000625- EC Number
- 279-197-2
- Nikkaji
- J320.122H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 61.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Boiling point
- 339 · 339.0±45.0 °C(Predicted)
- Density
- 1.262 · 1.262±0.06 g/cm3(Predicted)
- pka
- -1.78 · -1.78±0.29(Predicted)
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Compound notes
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