7,7'-Bibenzo[d]oxazole
Basic information
- CAS
467231-65-8- Standard SMILES
c1cc(-c2cccc3ncoc23)c2ocnc2c1- InChIKey
QYGVENSBTDTZTN-UHFFFAOYSA-N- Molecular formula
- C14H8N2O2
- Average molar mass
- 236.22 g/mol
- Monoisotopic mass
- 236.0585775
Names & identifiers
- Preferred name
- 7,7'-Bibenzo[d]oxazole
- IUPAC
- 7-(1,3-benzoxazol-7-yl)-1,3-benzoxazole
Names & synonyms
7,7'-Bibenzo[d]oxazole467231-65-87,7'-Bi-1,3-benzoxazoleSCHEMBL6500200SCHEMBL6500204DTXSID20514139
Database identifiers
- CAS
467231-65-8- PubChem CID
- 12964754
- DTXSID
DTXSID20514139- Nikkaji
- J1.746.271G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 282
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Compound notes
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