Propanamide, 2-chloro-N-(3-phenyl-5-isoxazolyl)-
Basic information
- CAS
37852-61-2- Standard SMILES
CC(Cl)C(=O)Nc1cc(-c2ccccc2)no1- InChIKey
UNSJTDNXEIROJA-UHFFFAOYSA-N- Molecular formula
- C12H11ClN2O2
- Average molar mass
- 250.68 g/mol
- Monoisotopic mass
- 250.0509053
Names & identifiers
- Preferred name
- Propanamide, 2-chloro-N-(3-phenyl-5-isoxazolyl)-
- IUPAC
- 2-chloro-N-(3-phenyl-1,2-oxazol-5-yl)propanamide
- English name
- Propanamide, 2-chloro-N-(3-phenyl-5-isoxazolyl)-
- Molecular formula
- C12H11ClN2O2
- Molecular weight
- 250.68
Names & synonyms
37852-61-2Propanamide, 2-chloro-N-(3-phenyl-5-isoxazolyl)-RefChem:10966862-Chloro-N-(3-phenyl-5-isoxazolyl)propanamide2-chloro-n-(3-phenyl-1,2-oxazol-5-yl)propanamideDTXSID50958885
Database identifiers
- CAS
37852-61-2- PubChem CID
- 216896
- DTXSID
DTXSID50958885
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Boiling point
- 487.9 · 487.9±40.0 °C(Predicted)
- Density
- 1.305 · 1.305±0.06 g/cm3(Predicted)
- pka
- 11.26 · 11.26±0.70(Predicted)
- EWG's Food Scores
- 1 · 1
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Compound notes
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