sodium;dichloride;isocyanate

CCl2NNaO-2 — CID 18324615

IUPACsodium;dichloride;isocyanate
SMILES[Cl-].[Cl-].[N-]=C=O.[Na+]
InChIInChI=1S/CNO.2ClH.Na/c2-1-3;;;/h;2*1H;/q-1;;;+1/p-2
InChIKeyWYOVVYZHEJUCIX-UHFFFAOYSA-L
MW135.91 g/mol
LogP-9.10
Rot. Bonds

About sodium;dichloride;isocyanate

sodium;dichloride;isocyanate (PubChem CID 18324615) has the molecular formula CCl2NNaO-2 and a molecular weight of 135.91 g/mol. Its IUPAC name is sodium;dichloride;isocyanate.

Molecular Properties

Compound Namesodium;dichloride;isocyanate
PubChem CID18324615
Molecular FormulaCCl2NNaO-2
Molecular Weight135.91 g/mol
Exact Mass134.93
IUPAC Namesodium;dichloride;isocyanate
SMILES[Cl-].[Cl-].[N-]=C=O.[Na+]
InChIInChI=1S/CNO.2ClH.Na/c2-1-3;;;/h;2*1H;/q-1;;;+1/p-2
InChIKeyWYOVVYZHEJUCIX-UHFFFAOYSA-L
XLogP-9.10
TPSA39.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.91
LogP ≤ 5-9.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 sodium;dichloride;isocyanate?
The IUPAC name of sodium;dichloride;isocyanate (CID 18324615) is sodium;dichloride;isocyanate.
What is the SMILES notation for sodium;dichloride;isocyanate?
The canonical SMILES for sodium;dichloride;isocyanate is [Cl-].[Cl-].[N-]=C=O.[Na+].
What is the InChIKey of sodium;dichloride;isocyanate?
The InChIKey is WYOVVYZHEJUCIX-UHFFFAOYSA-L. The full InChI is InChI=1S/CNO.2ClH.Na/c2-1-3;;;/h;2*1H;/q-1;;;+1/p-2.
What are the key properties of sodium;dichloride;isocyanate?
sodium;dichloride;isocyanate has a molecular weight of 135.91 g/mol, XLogP of -9.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dichloride;isocyanate is sourced from PubChem (CID 18324615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).