Basic information
- CAS
76344-83-7- Standard SMILES
CCOC(=O)c1cnoc1-c1ccc(Cl)cc1- InChIKey
YHEFFAMWMYTAEX-UHFFFAOYSA-N- Molecular formula
- C12H10ClNO3
- Average molar mass
- 251.66 g/mol
- Monoisotopic mass
- 251.03492086
Names & identifiers
- Preferred name
- Ethyl 5-(4-chlorophenyl)-1,2-oxazole-4-carboxylate
- IUPAC
- ethyl 5-(4-chlorophenyl)-1,2-oxazole-4-carboxylate
- English name
- 5-(4-CHLORO-PHENYL)-ISOXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
- Molecular formula
- C12H10ClNO3
- Molecular weight
- 251.67
Names & synonyms
76344-83-7ethyl 5-(4-chlorophenyl)-1,2-oxazole-4-carboxylate4-Isoxazolecarboxylicacid, 5-(4-chlorophenyl)-, ethyl esterEthyl 5-(4-chlorophenyl)isoxazole-4-carboxylateSCHEMBL106681715-(4-chlorophenyl)isoxazole-4-carboxylic acid ethyl esterDTXSID80602980YHEFFAMWMYTAEX-UHFFFAOYSA-Nethyl-5-(4'-chlorophenyl)-4-isoxazolecarboxylate5-(4-CHLORO-PHENYL)-ISOXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER4-Isoxazolecarboxylic acid, 5-(4-chlorophenyl)-, ethyl ester
Database identifiers
- CAS
76344-83-7- PubChem CID
- 20148334
- DTXSID
DTXSID80602980
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Boiling point
- 404.6 · 404.6±35.0 °C(Predicted)
- Density
- 1.276 · 1.276±0.06 g/cm3(Predicted)
- pka
- -5 · -5.00±0.50(Predicted)
Chemistry & industry
Suppliers1 total
CIVENTICHEM[email protected]
Related reactions
1 records
Compound notes
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