(E)-5,5'-Difluoro-[2,2'-biindolinylidene]-3,3'-dione

HCID 345436

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Basic information

CAS: 362-19-6
Standard SMILES: O=C1C(c2[nH]c3ccc(F)cc3c2O)=Nc2ccc(F)cc21
InChIKey: OLJTYXXDLBGVGL-UHFFFAOYSA-N
Molecular formula: C16H8F2N2O2
Average molar mass: 298.24 g/mol
Monoisotopic mass: 298.05538383

Names & identifiers

Preferred name: (E)-5,5'-Difluoro-[2,2'-biindolinylidene]-3,3'-dione
IUPAC: 5-fluoro-2-(5-fluoro-3-hydroxy-1H-indol-2-yl)indol-3-one

Names & synonyms

362-19-6(E)-5,5'-Difluoro-[2,2'-biindolinylidene]-3,3'-dioneNSC4030635,5'-Difluoro-[2,2'-biindolinylidene]-3,3'-dioneSCHEMBL21708143C16H8F2N2O2DTXSID90419667NSC-403063G65901(2E)-5-fluoro-2-(5-fluoro-3-oxo-indolin-2-ylidene)indolin-3-one(2Z)-5-Fluoro-2-(5-fluoro-3-oxo-1,3-dihydro-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-one

Database identifiers

CAS: 362-19-6
PubChem CID: 345436
DTXSID: DTXSID90419667
Nikkaji: J1.072.604B、J1.775.019D

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 65.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 22
Formal charge: 0
Complexity: 512

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