CID 173440040

C9H21Br6Te3 — CID 173440040

IUPAC—
SMILESBr.Br.Br.CC(Br)C[Te].CC(Br)C[Te].CC(Br)C[Te]
InChIInChI=1S/3C3H6BrTe.3BrH/c3*1-3(4)2-5;;;/h3*3H,2H2,1H3;3*1H
InChIKeyZVFXBOMSKXUXQE-UHFFFAOYSA-N
MW991.49 g/mol
LogP5.80
Rot. Bonds3

About CID 173440040

CID 173440040 (PubChem CID 173440040) has the molecular formula C9H21Br6Te3 and a molecular weight of 991.49 g/mol.

Molecular Properties

Compound NameCID 173440040
PubChem CID173440040
Molecular FormulaC9H21Br6Te3
Molecular Weight991.49 g/mol
Exact Mass992.39
IUPAC Name—
SMILESBr.Br.Br.CC(Br)C[Te].CC(Br)C[Te].CC(Br)C[Te]
InChIInChI=1S/3C3H6BrTe.3BrH/c3*1-3(4)2-5;;;/h3*3H,2H2,1H3;3*1H
InChIKeyZVFXBOMSKXUXQE-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500991.49
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173440040?
The IUPAC name of CID 173440040 (CID 173440040) is not available.
What is the SMILES notation for CID 173440040?
The canonical SMILES for CID 173440040 is Br.Br.Br.CC(Br)C[Te].CC(Br)C[Te].CC(Br)C[Te].
What is the InChIKey of CID 173440040?
The InChIKey is ZVFXBOMSKXUXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H6BrTe.3BrH/c3*1-3(4)2-5;;;/h3*3H,2H2,1H3;3*1H.
What are the key properties of CID 173440040?
CID 173440040 has a molecular weight of 991.49 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173440040 is sourced from PubChem (CID 173440040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).