CID 173404741

C16H18Cl2O2Te — CID 173404741

IUPAC—
SMILESCC(=O)c1ccccc1.CC(=O)c1ccccc1.Cl.Cl.[Te]
InChIInChI=1S/2C8H8O.2ClH.Te/c2*1-7(9)8-5-3-2-4-6-8;;;/h2*2-6H,1H3;2*1H;
InChIKeyIQQUSTXFUBRPOC-UHFFFAOYSA-N
MW440.82 g/mol
LogP4.24
Rot. Bonds2

About CID 173404741

CID 173404741 (PubChem CID 173404741) has the molecular formula C16H18Cl2O2Te and a molecular weight of 440.82 g/mol.

Molecular Properties

Compound NameCID 173404741
PubChem CID173404741
Molecular FormulaC16H18Cl2O2Te
Molecular Weight440.82 g/mol
Exact Mass441.97
IUPAC Name—
SMILESCC(=O)c1ccccc1.CC(=O)c1ccccc1.Cl.Cl.[Te]
InChIInChI=1S/2C8H8O.2ClH.Te/c2*1-7(9)8-5-3-2-4-6-8;;;/h2*2-6H,1H3;2*1H;
InChIKeyIQQUSTXFUBRPOC-UHFFFAOYSA-N
XLogP4.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.82
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 10669604
CID 22025249
CID 22025249
1,1'-biphenyl;ethane;bis(1-phenylethanone)
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Frequently Asked Questions

What is the IUPAC name of CID 173404741?
The IUPAC name of CID 173404741 (CID 173404741) is not available.
What is the SMILES notation for CID 173404741?
The canonical SMILES for CID 173404741 is CC(=O)c1ccccc1.CC(=O)c1ccccc1.Cl.Cl.[Te].
What is the InChIKey of CID 173404741?
The InChIKey is IQQUSTXFUBRPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H8O.2ClH.Te/c2*1-7(9)8-5-3-2-4-6-8;;;/h2*2-6H,1H3;2*1H;.
What are the key properties of CID 173404741?
CID 173404741 has a molecular weight of 440.82 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173404741 is sourced from PubChem (CID 173404741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).