Hexyl selenocyanate

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Basic information

CAS: 60669-47-8
Standard SMILES: CCCCCC[Se]C#N
InChIKey: DAMYNTNPMQUNBH-UHFFFAOYSA-N
Molecular formula: C7H13NSe
Average molar mass: 190.16 g/mol
Monoisotopic mass: 191.02132

Names & identifiers

Preferred name: Hexyl selenocyanate
IUPAC: hexyl selenocyanate

Names & synonyms

60669-47-8hexyl selenocyanateSELENOCYANIC ACID, HEXYL ESTERNSC2048DAMYNTNPMQUNBH-UHFFFAOYSA-DTXSID10976101NSC-2048InChI=1/C7H13NSe/c1-2-3-4-5-6-9-7-8/h2-6H2,1H3

Database identifiers

CAS: 60669-47-8
PubChem CID: 219998
DTXSID: DTXSID10976101
Nikkaji: J2.182.370H

Properties

Computed structural properties

Topological polar surface area: 23.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 9
Formal charge: 0
Complexity: 92.3

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Compound notes

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