Basic information
- CAS
179315-82-3- Standard SMILES
CC(O)C#Cc1cc(Cl)cc2nc(-c3ccccc3Cl)oc12- InChIKey
AAKYWUJQMAQBKX-UHFFFAOYSA-N- Molecular formula
- C17H11Cl2NO2
- Average molar mass
- 332.2 g/mol
Names & identifiers
- Preferred name
- 5-Chloro-2-(2-chlorophenyl)-7-(3-hydroxy-1-butynyl)-benzoxazole
- IUPAC
- 4-[5-chloro-2-(2-chlorophenyl)-1,3-benzoxazol-7-yl]but-3-yn-2-ol
Names & synonyms
SCHEMBL2490307AAKYWUJQMAQBKX-UHFFFAOYSA-NAKOS0244057554-(5-chloro-2-[2-chlorophenyl]benzoxazol-7-yl)but-3-yn-2-ol5-Chloro-2-(2-chlorophenyl)-7-(3-hydroxy-1-butynyl)-benzoxazole4-(5-chloro-2-(2-chlorophenyl)-1,3-benzoxazol-7-yl)-3-butyn-2-ol
Database identifiers
- CAS
179315-82-3- PubChem CID
- 4639255
- EC Number
- 123-281-2
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 460
Related reactions
3 records
Compound notes
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