azane;2-hydroxyacetyl chloride;hydrate

C2H8ClNO3 — CID 173432237

IUPACazane;2-hydroxyacetyl chloride;hydrate
SMILESN.O.O=C(Cl)CO
InChIInChI=1S/C2H3ClO2.H3N.H2O/c3-2(5)1-4;;/h4H,1H2;1H3;1H2
InChIKeyPXYDSRSKHYKFJN-UHFFFAOYSA-N
MW129.54 g/mol
LogP-0.92
Rot. Bonds1

About azane;2-hydroxyacetyl chloride;hydrate

azane;2-hydroxyacetyl chloride;hydrate (PubChem CID 173432237) has the molecular formula C2H8ClNO3 and a molecular weight of 129.54 g/mol. Its IUPAC name is azane;2-hydroxyacetyl chloride;hydrate.

Molecular Properties

Compound Nameazane;2-hydroxyacetyl chloride;hydrate
PubChem CID173432237
Molecular FormulaC2H8ClNO3
Molecular Weight129.54 g/mol
Exact Mass129.02
IUPAC Nameazane;2-hydroxyacetyl chloride;hydrate
SMILESN.O.O=C(Cl)CO
InChIInChI=1S/C2H3ClO2.H3N.H2O/c3-2(5)1-4;;/h4H,1H2;1H3;1H2
InChIKeyPXYDSRSKHYKFJN-UHFFFAOYSA-N
XLogP-0.92
TPSA103.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.54
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;2-hydroxyacetyl chloride;hydrate?
The IUPAC name of azane;2-hydroxyacetyl chloride;hydrate (CID 173432237) is azane;2-hydroxyacetyl chloride;hydrate.
What is the SMILES notation for azane;2-hydroxyacetyl chloride;hydrate?
The canonical SMILES for azane;2-hydroxyacetyl chloride;hydrate is N.O.O=C(Cl)CO.
What is the InChIKey of azane;2-hydroxyacetyl chloride;hydrate?
The InChIKey is PXYDSRSKHYKFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3ClO2.H3N.H2O/c3-2(5)1-4;;/h4H,1H2;1H3;1H2.
What are the key properties of azane;2-hydroxyacetyl chloride;hydrate?
azane;2-hydroxyacetyl chloride;hydrate has a molecular weight of 129.54 g/mol, XLogP of -0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-hydroxyacetyl chloride;hydrate is sourced from PubChem (CID 173432237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).