Basic information
- Standard SMILES
O=C(O)c1cc(Cl)cc2oc(-c3ccccc3)nc12- InChIKey
BZGMOSBJDZATIA-UHFFFAOYSA-N- Molecular formula
- C14H8ClNO3
- Average molar mass
- 273.67 g/mol
Names & identifiers
- Preferred name
- 6-Chloro-2-phenyl-benzoxazole-4-carboxylic acid
- IUPAC
- 6-chloro-2-phenyl-1,3-benzoxazole-4-carboxylic acid
Names & synonyms
SCHEMBL2959750BZGMOSBJDZATIA-UHFFFAOYSA-N6-chloro-2-phenyl-benzoxazole-4-carboxylic acid
Database identifiers
- PubChem CID
- 68457640
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 346
Related reactions
14 records
Compound notes
Loading…