Basic information
- Standard SMILES
O=C(CCCl)c1ccon1- InChIKey
JUXUXVXNWBSFRT-UHFFFAOYSA-N- Molecular formula
- C6H6ClNO2
- Average molar mass
- 159.57 g/mol
Names & identifiers
- Preferred name
- 3-Chloro-1-(3-isoxazolyl)-1-propanone
- IUPAC
- 3-chloro-1-(1,2-oxazol-3-yl)propan-1-one
Names & synonyms
357405-87-93-chloro-1-(3-isoxazolyl)-1-propanone3-chloro-1-(isoxazol-3-yl)propan-1-one3-CHLORO-1-(1,2-OXAZOL-3-YL)PROPAN-1-ONESCHEMBL6050089JUXUXVXNWBSFRT-UHFFFAOYSA-NAKOS0063743121-Propanone, 3-chloro-1-(3-isoxazolyl)-DB-268721A1-10511
Database identifiers
- PubChem CID
- 22489049
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 129
Related reactions
3 records
Compound notes
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