2-chloroacetate;triphenylstannanylium

C20H17ClO2Sn — CID 10225423

IUPAC2-chloroacetate;triphenylstannanylium
SMILESO=C([O-])CCl.c1ccc([Sn+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C6H5.C2H3ClO2.Sn/c3*1-2-4-6-5-3-1;3-1-2(4)5;/h3*1-5H;1H2,(H,4,5);/q;;;;+1/p-1
InChIKeyXOFYGTPELGZPLY-UHFFFAOYSA-M
MW443.52 g/mol
LogP1.18
Rot. Bonds4

About 2-chloroacetate;triphenylstannanylium

2-chloroacetate;triphenylstannanylium (PubChem CID 10225423) has the molecular formula C20H17ClO2Sn and a molecular weight of 443.52 g/mol. Its IUPAC name is 2-chloroacetate;triphenylstannanylium.

Molecular Properties

Compound Name2-chloroacetate;triphenylstannanylium
PubChem CID10225423
Molecular FormulaC20H17ClO2Sn
Molecular Weight443.52 g/mol
Exact Mass443.99
IUPAC Name2-chloroacetate;triphenylstannanylium
SMILESO=C([O-])CCl.c1ccc([Sn+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C6H5.C2H3ClO2.Sn/c3*1-2-4-6-5-3-1;3-1-2(4)5;/h3*1-5H;1H2,(H,4,5);/q;;;;+1/p-1
InChIKeyXOFYGTPELGZPLY-UHFFFAOYSA-M
XLogP1.18
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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triphenylstannanylium;tripropylstannanylium;diacetate
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CID 67706318
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Frequently Asked Questions

What is the IUPAC name of 2-chloroacetate;triphenylstannanylium?
The IUPAC name of 2-chloroacetate;triphenylstannanylium (CID 10225423) is 2-chloroacetate;triphenylstannanylium.
What is the SMILES notation for 2-chloroacetate;triphenylstannanylium?
The canonical SMILES for 2-chloroacetate;triphenylstannanylium is O=C([O-])CCl.c1ccc([Sn+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-chloroacetate;triphenylstannanylium?
The InChIKey is XOFYGTPELGZPLY-UHFFFAOYSA-M. The full InChI is InChI=1S/3C6H5.C2H3ClO2.Sn/c3*1-2-4-6-5-3-1;3-1-2(4)5;/h3*1-5H;1H2,(H,4,5);/q;;;;+1/p-1.
What are the key properties of 2-chloroacetate;triphenylstannanylium?
2-chloroacetate;triphenylstannanylium has a molecular weight of 443.52 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroacetate;triphenylstannanylium is sourced from PubChem (CID 10225423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).