2-phosphorosoacetyl chloride

C2H2ClO2P — CID 90337837

IUPAC2-phosphorosoacetyl chloride
SMILESO=PCC(=O)Cl
InChIInChI=1S/C2H2ClO2P/c3-2(4)1-6-5/h1H2
InChIKeyBCQXKNGROHXCEA-UHFFFAOYSA-N
MW124.46 g/mol
LogP1.04
Rot. Bonds2

About 2-phosphorosoacetyl chloride

2-phosphorosoacetyl chloride (PubChem CID 90337837) has the molecular formula C2H2ClO2P and a molecular weight of 124.46 g/mol. Its IUPAC name is 2-phosphorosoacetyl chloride.

Molecular Properties

Compound Name2-phosphorosoacetyl chloride
PubChem CID90337837
Molecular FormulaC2H2ClO2P
Molecular Weight124.46 g/mol
Exact Mass123.95
IUPAC Name2-phosphorosoacetyl chloride
SMILESO=PCC(=O)Cl
InChIInChI=1S/C2H2ClO2P/c3-2(4)1-6-5/h1H2
InChIKeyBCQXKNGROHXCEA-UHFFFAOYSA-N
XLogP1.04
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.46
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-phosphorosoacetyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-phosphorosoacetyl chloride?
The IUPAC name of 2-phosphorosoacetyl chloride (CID 90337837) is 2-phosphorosoacetyl chloride.
What is the SMILES notation for 2-phosphorosoacetyl chloride?
The canonical SMILES for 2-phosphorosoacetyl chloride is O=PCC(=O)Cl.
What is the InChIKey of 2-phosphorosoacetyl chloride?
The InChIKey is BCQXKNGROHXCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2ClO2P/c3-2(4)1-6-5/h1H2.
What are the key properties of 2-phosphorosoacetyl chloride?
2-phosphorosoacetyl chloride has a molecular weight of 124.46 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phosphorosoacetyl chloride is sourced from PubChem (CID 90337837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).