1,2,5-Trichloro-6-nitrosooctahydro-1H-4,7-methanoindene

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Basic information

CAS: 7466-09-3
Standard SMILES: O=NC1C(Cl)C2CC1C1C(Cl)C(Cl)CC21
InChIKey: YYZJLBBOYRMUNW-UHFFFAOYSA-N
Molecular formula: C10H12Cl3NO
Average molar mass: 268.6 g/mol
Monoisotopic mass: 266.998447

Names & identifiers

Preferred name: 1,2,5-Trichloro-6-nitrosooctahydro-1H-4,7-methanoindene
IUPAC: 3,4,8-trichloro-9-nitrosotricyclo[5.2.1.02,6]decane

Names & synonyms

7466-09-3NSC56123DTXSID90328821NSC56124NSC-56123NSC-561244, 1,2,5-trichlorooctahydro-6-nitroso-dimer4, exo-1,2,5-trichlorohexahydro-6-nitroso-, dimer4, endo-1,2,5-trichlorohexahydro-6-nitroso-, dimer1,2,5-Trichloro-6-nitrosooctahydro-1H-4,7-methanoindene4, 1,2,5-trichlorohexahydro-6-nitroso-, stereoisomer, dimer

Database identifiers

CAS: 7466-09-3
PubChem CID: 414183
DTXSID: DTXSID90328821

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 29.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 300

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Compound notes

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