Benzoxazole, 6-chloro-2-(4-ethoxyphenoxy)-
Basic information
- CAS
95617-10-0- Standard SMILES
CCOc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1- InChIKey
PRCOYJQZCXBQBP-UHFFFAOYSA-N- Molecular formula
- C15H12ClNO3
- Average molar mass
- 289.71 g/mol
- Monoisotopic mass
- 289.0505709
Names & identifiers
- Preferred name
- Benzoxazole, 6-chloro-2-(4-ethoxyphenoxy)-
- IUPAC
- 6-chloro-2-(4-ethoxyphenoxy)-1,3-benzoxazole
Names & synonyms
Benzoxazole, 6-chloro-2-(4-ethoxyphenoxy)-95617-10-06-chloro-2-(4-ethoxyphenoxy)-1,3-benzoxazoleDTXSID50241901
Database identifiers
- CAS
95617-10-0- PubChem CID
- 178782
- DTXSID
DTXSID50241901
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 309
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Compound notes
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