Bicyclo(4.4.1)undeca-1,3,5,7,9-pentaene-2-sulfonyl chloride, 11,11-difluoro-

HCID 145181

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Basic information

CAS: 88635-78-3
Standard SMILES: O=S(=O)(Cl)C1=CC=CC2=CC=CC=C1C2(F)F
InChIKey: MHIQCFLYWDHRGX-UHFFFAOYSA-N
Molecular formula: C11H7ClF2O2S
Average molar mass: 276.69 g/mol
Monoisotopic mass: 275.9823347

Names & identifiers

Preferred name: Bicyclo(4.4.1)undeca-1,3,5,7,9-pentaene-2-sulfonyl chloride, 11,11-difluoro-
IUPAC: 11,11-difluorobicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene-2-sulfonyl chloride

Names & synonyms

Bicyclo(4.4.1)undeca-1,3,5,7,9-pentaene-2-sulfonyl chloride, 11,11-difluoro-88635-78-3Bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene-2-sulfonyl chloride, 11,11-difluoro-DTXSID102372099,9-Difluoro-1,6-methano[10]annulene-1-sulfonyl chloride11,11-difluorobicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene-2-sulfonyl chloride

Database identifiers

CAS: 88635-78-3
PubChem CID: 145181
DTXSID: DTXSID10237209

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 377

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Compound notes

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