chloro(isocyanatoselanyl)methane

C2H2ClNOSe — CID 88705730

IUPACchloro(isocyanatoselanyl)methane
SMILESO=C=N[Se]CCl
InChIInChI=1S/C2H2ClNOSe/c3-1-6-4-2-5/h1H2
InChIKeyOWKYKZFZSPIEMN-UHFFFAOYSA-N
MW170.46 g/mol
LogP0.14
Rot. Bonds2

About chloro(isocyanatoselanyl)methane

chloro(isocyanatoselanyl)methane (PubChem CID 88705730) has the molecular formula C2H2ClNOSe and a molecular weight of 170.46 g/mol. Its IUPAC name is chloro(isocyanatoselanyl)methane.

Molecular Properties

Compound Namechloro(isocyanatoselanyl)methane
PubChem CID88705730
Molecular FormulaC2H2ClNOSe
Molecular Weight170.46 g/mol
Exact Mass170.90
IUPAC Namechloro(isocyanatoselanyl)methane
SMILESO=C=N[Se]CCl
InChIInChI=1S/C2H2ClNOSe/c3-1-6-4-2-5/h1H2
InChIKeyOWKYKZFZSPIEMN-UHFFFAOYSA-N
XLogP0.14
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.46
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloro(isocyanatoselanyl)methane?
The IUPAC name of chloro(isocyanatoselanyl)methane (CID 88705730) is chloro(isocyanatoselanyl)methane.
What is the SMILES notation for chloro(isocyanatoselanyl)methane?
The canonical SMILES for chloro(isocyanatoselanyl)methane is O=C=N[Se]CCl.
What is the InChIKey of chloro(isocyanatoselanyl)methane?
The InChIKey is OWKYKZFZSPIEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2ClNOSe/c3-1-6-4-2-5/h1H2.
What are the key properties of chloro(isocyanatoselanyl)methane?
chloro(isocyanatoselanyl)methane has a molecular weight of 170.46 g/mol, XLogP of 0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(isocyanatoselanyl)methane is sourced from PubChem (CID 88705730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).