[3-(chloromethyl)naphthalen-2-yl] selenocyanate

C12H8ClNSe — CID 11185122

IUPAC[3-(chloromethyl)naphthalen-2-yl] selenocyanate
SMILESN#C[Se]c1cc2ccccc2cc1CCl
InChIInChI=1S/C12H8ClNSe/c13-7-11-5-9-3-1-2-4-10(9)6-12(11)15-8-14/h1-6H,7H2
InChIKeyASIHGITUTCHXBR-UHFFFAOYSA-N
MW280.62 g/mol
LogP2.39
Rot. Bonds2

About [3-(chloromethyl)naphthalen-2-yl] selenocyanate

[3-(chloromethyl)naphthalen-2-yl] selenocyanate (PubChem CID 11185122) has the molecular formula C12H8ClNSe and a molecular weight of 280.62 g/mol. Its IUPAC name is [3-(chloromethyl)naphthalen-2-yl] selenocyanate.

Molecular Properties

Compound Name[3-(chloromethyl)naphthalen-2-yl] selenocyanate
PubChem CID11185122
Molecular FormulaC12H8ClNSe
Molecular Weight280.62 g/mol
Exact Mass280.95
IUPAC Name[3-(chloromethyl)naphthalen-2-yl] selenocyanate
SMILESN#C[Se]c1cc2ccccc2cc1CCl
InChIInChI=1S/C12H8ClNSe/c13-7-11-5-9-3-1-2-4-10(9)6-12(11)15-8-14/h1-6H,7H2
InChIKeyASIHGITUTCHXBR-UHFFFAOYSA-N
XLogP2.39
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.62
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(chloromethyl)naphthalen-2-yl] selenocyanate?
The IUPAC name of [3-(chloromethyl)naphthalen-2-yl] selenocyanate (CID 11185122) is [3-(chloromethyl)naphthalen-2-yl] selenocyanate.
What is the SMILES notation for [3-(chloromethyl)naphthalen-2-yl] selenocyanate?
The canonical SMILES for [3-(chloromethyl)naphthalen-2-yl] selenocyanate is N#C[Se]c1cc2ccccc2cc1CCl.
What is the InChIKey of [3-(chloromethyl)naphthalen-2-yl] selenocyanate?
The InChIKey is ASIHGITUTCHXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNSe/c13-7-11-5-9-3-1-2-4-10(9)6-12(11)15-8-14/h1-6H,7H2.
What are the key properties of [3-(chloromethyl)naphthalen-2-yl] selenocyanate?
[3-(chloromethyl)naphthalen-2-yl] selenocyanate has a molecular weight of 280.62 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(chloromethyl)naphthalen-2-yl] selenocyanate is sourced from PubChem (CID 11185122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).