carbonyl dichloride;cyanic acid

C2HCl2NO2 — CID 174834820

IUPACcarbonyl dichloride;cyanic acid
SMILESN#CO.O=C(Cl)Cl
InChIInChI=1S/CCl2O.CHNO/c2-1(3)4;2-1-3/h;3H
InChIKeyZDJSJHWWHFAAJP-UHFFFAOYSA-N
MW141.94 g/mol
LogP1.42
Rot. Bonds

About carbonyl dichloride;cyanic acid

carbonyl dichloride;cyanic acid (PubChem CID 174834820) has the molecular formula C2HCl2NO2 and a molecular weight of 141.94 g/mol. Its IUPAC name is carbonyl dichloride;cyanic acid.

Molecular Properties

Compound Namecarbonyl dichloride;cyanic acid
PubChem CID174834820
Molecular FormulaC2HCl2NO2
Molecular Weight141.94 g/mol
Exact Mass140.94
IUPAC Namecarbonyl dichloride;cyanic acid
SMILESN#CO.O=C(Cl)Cl
InChIInChI=1S/CCl2O.CHNO/c2-1(3)4;2-1-3/h;3H
InChIKeyZDJSJHWWHFAAJP-UHFFFAOYSA-N
XLogP1.42
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.94
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze carbonyl dichloride;cyanic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbonyl dichloride;cyanic acid?
The IUPAC name of carbonyl dichloride;cyanic acid (CID 174834820) is carbonyl dichloride;cyanic acid.
What is the SMILES notation for carbonyl dichloride;cyanic acid?
The canonical SMILES for carbonyl dichloride;cyanic acid is N#CO.O=C(Cl)Cl.
What is the InChIKey of carbonyl dichloride;cyanic acid?
The InChIKey is ZDJSJHWWHFAAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/CCl2O.CHNO/c2-1(3)4;2-1-3/h;3H.
What are the key properties of carbonyl dichloride;cyanic acid?
carbonyl dichloride;cyanic acid has a molecular weight of 141.94 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonyl dichloride;cyanic acid is sourced from PubChem (CID 174834820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).