ethyl 2-bromo-2-phenyltelluronylacetate

C10H11BrO4Te — CID 134986349

IUPACethyl 2-bromo-2-phenyltelluronylacetate
SMILESCCOC(=O)C(Br)[Te](=O)(=O)c1ccccc1
InChIInChI=1S/C10H11BrO4Te/c1-2-15-10(12)9(11)16(13,14)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKeyBLULCUMFIHNBDN-UHFFFAOYSA-N
MW402.70 g/mol
LogP1.06
Rot. Bonds4

About ethyl 2-bromo-2-phenyltelluronylacetate

ethyl 2-bromo-2-phenyltelluronylacetate (PubChem CID 134986349) has the molecular formula C10H11BrO4Te and a molecular weight of 402.70 g/mol. Its IUPAC name is ethyl 2-bromo-2-phenyltelluronylacetate.

Molecular Properties

Compound Nameethyl 2-bromo-2-phenyltelluronylacetate
PubChem CID134986349
Molecular FormulaC10H11BrO4Te
Molecular Weight402.70 g/mol
Exact Mass403.89
IUPAC Nameethyl 2-bromo-2-phenyltelluronylacetate
SMILESCCOC(=O)C(Br)[Te](=O)(=O)c1ccccc1
InChIInChI=1S/C10H11BrO4Te/c1-2-15-10(12)9(11)16(13,14)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKeyBLULCUMFIHNBDN-UHFFFAOYSA-N
XLogP1.06
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.70
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 174851876
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ethyl (2S,3S)-2-bromo-2-fluoro-3-hydroxy-3-phenylpropanoate
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ethyl 2-amino-2-phenylacetate chloride
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ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate
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CID 66289618
benzene-1,2-diol;diethyl 2-methylpropanedioate
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CID 102348217

Frequently Asked Questions

What is the IUPAC name of ethyl 2-bromo-2-phenyltelluronylacetate?
The IUPAC name of ethyl 2-bromo-2-phenyltelluronylacetate (CID 134986349) is ethyl 2-bromo-2-phenyltelluronylacetate.
What is the SMILES notation for ethyl 2-bromo-2-phenyltelluronylacetate?
The canonical SMILES for ethyl 2-bromo-2-phenyltelluronylacetate is CCOC(=O)C(Br)[Te](=O)(=O)c1ccccc1.
What is the InChIKey of ethyl 2-bromo-2-phenyltelluronylacetate?
The InChIKey is BLULCUMFIHNBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO4Te/c1-2-15-10(12)9(11)16(13,14)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3.
What are the key properties of ethyl 2-bromo-2-phenyltelluronylacetate?
ethyl 2-bromo-2-phenyltelluronylacetate has a molecular weight of 402.70 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-bromo-2-phenyltelluronylacetate is sourced from PubChem (CID 134986349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).