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Basic information
- CAS
82525-18-6- Standard SMILES
CCOC(=O)c1ccc(-c2cncnc2)cc1- InChIKey
JLVURWFSACDGNK-UHFFFAOYSA-N- Molecular formula
- C13H12N2O2
- Average molar mass
- 228.251 g/mol
- Monoisotopic mass
- 228.08987762
Names & identifiers
- Preferred name
- Ethyl 4-(pyrimidin-5-yl)benzoate
- IUPAC
- Ethyl 4-(pyrimidin-5-yl)benzoate
- English name
- 4-PYRIMIDIN-5-YL-BENZOIC ACID ETHYL ESTER
- Molecular formula
- C13H12N2O2
- Molecular weight
- 228.25
Names & synonyms
ethyl 4-pyrimidin-5-ylbenzoate4-PYRIMIDIN-5-YL-BENZOIC ACID ETHYL ESTERBenzoic acid,4-(5-pyrimidinyl)-, ethyl ester
Database identifiers
- CAS
82525-18-6- PubChem CID
- 12946641
- DTXSID
DTXSID20513607- Nikkaji
- J2.247.307G
Properties
Physicochemical properties
- Melting point
- 118 · 118-119 °C
- Boiling point
- 384 · 384.0±35.0 °C(Predicted)
- Density
- 1.167 · 1.167±0.06 g/cm3(Predicted)
- pka
- 1.53 · 1.53±0.10(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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