Einecs 245-466-8
Basic information
- CAS
23160-51-2- Standard SMILES
O=C1Oc2ccccc2C12c1ccc(Cl)cc1Oc1cc(NCc3ccccc3)ccc12- InChIKey
OKNBYLKGMMUSPR-UHFFFAOYSA-N- Molecular formula
- C27H18ClNO3
- Average molar mass
- 439.9 g/mol
- Monoisotopic mass
- 439.0975211
Names & identifiers
- Preferred name
- Einecs 245-466-8
- IUPAC
- 3'-(benzylamino)-6'-chlorospiro[1-benzofuran-3,9'-xanthene]-2-one
Names & synonyms
23160-51-2EINECS 245-466-8DTXSID70945838OKNBYLKGMMUSPR-UHFFFAOYSA-NNS000503073'-(Benzylamino)-6'-chloro-2H-spiro[[1]benzofuran-3,9'-xanthen]-2-one3'-(Benzylamino)-6'-chloro-2H-spiro[1-benzofuran-3,9'-xanthen]-2-one6'-(Benzylamino)-3'-chlorospiro(isobenzofuran-1(3H)-9'(9H)-xanthene)-3-one
Database identifiers
- CAS
23160-51-2- PubChem CID
- 90885
- DTXSID
DTXSID70945838- EC Number
- 245-466-8
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 696
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Related reactions
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Compound notes
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