CID 173165287

C3Cl8Tl — CID 173165287

IUPAC—
SMILESClC(Cl)(Cl)Cl.ClC1(Cl)[Tl]C1(Cl)Cl
InChIInChI=1S/C2Cl4.CCl4.Tl/c3-1(4)2(5)6;2-1(3,4)5;
InChIKeyMYLQTMNMPYGSQN-UHFFFAOYSA-N
MW524.04 g/mol
LogP4.52
Rot. Bonds

About CID 173165287

CID 173165287 (PubChem CID 173165287) has the molecular formula C3Cl8Tl and a molecular weight of 524.04 g/mol.

Molecular Properties

Compound NameCID 173165287
PubChem CID173165287
Molecular FormulaC3Cl8Tl
Molecular Weight524.04 g/mol
Exact Mass520.73
IUPAC Name—
SMILESClC(Cl)(Cl)Cl.ClC1(Cl)[Tl]C1(Cl)Cl
InChIInChI=1S/C2Cl4.CCl4.Tl/c3-1(4)2(5)6;2-1(3,4)5;
InChIKeyMYLQTMNMPYGSQN-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.04
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173165287?
The IUPAC name of CID 173165287 (CID 173165287) is not available.
What is the SMILES notation for CID 173165287?
The canonical SMILES for CID 173165287 is ClC(Cl)(Cl)Cl.ClC1(Cl)[Tl]C1(Cl)Cl.
What is the InChIKey of CID 173165287?
The InChIKey is MYLQTMNMPYGSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2Cl4.CCl4.Tl/c3-1(4)2(5)6;2-1(3,4)5;.
What are the key properties of CID 173165287?
CID 173165287 has a molecular weight of 524.04 g/mol, XLogP of 4.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173165287 is sourced from PubChem (CID 173165287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).