CID 20520000

C6H2AsCl3 — CID 20520000

IUPAC—
SMILESClc1ccc([As])c(Cl)c1Cl
InChIInChI=1S/C6H2AsCl3/c7-3-1-2-4(8)6(10)5(3)9/h1-2H
InChIKeyCIIVUSCGWAYQNS-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.44
Rot. Bonds

About CID 20520000

CID 20520000 (PubChem CID 20520000) has the molecular formula C6H2AsCl3 and a molecular weight of 255.36 g/mol.

Molecular Properties

Compound NameCID 20520000
PubChem CID20520000
Molecular FormulaC6H2AsCl3
Molecular Weight255.36 g/mol
Exact Mass253.84
IUPAC Name—
SMILESClc1ccc([As])c(Cl)c1Cl
InChIInChI=1S/C6H2AsCl3/c7-3-1-2-4(8)6(10)5(3)9/h1-2H
InChIKeyCIIVUSCGWAYQNS-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 20520000?
The IUPAC name of CID 20520000 (CID 20520000) is not available.
What is the SMILES notation for CID 20520000?
The canonical SMILES for CID 20520000 is Clc1ccc([As])c(Cl)c1Cl.
What is the InChIKey of CID 20520000?
The InChIKey is CIIVUSCGWAYQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2AsCl3/c7-3-1-2-4(8)6(10)5(3)9/h1-2H.
What are the key properties of CID 20520000?
CID 20520000 has a molecular weight of 255.36 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20520000 is sourced from PubChem (CID 20520000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).