CID 162334372

C2H5ClNaO2 — CID 162334372

IUPAC—
SMILESOCC(O)Cl.[Na]
InChIInChI=1S/C2H5ClO2.Na/c3-2(5)1-4;/h2,4-5H,1H2;
InChIKeyHSZAFGSRDPBOLC-UHFFFAOYSA-N
MW119.50 g/mol
LogP-0.84
Rot. Bonds1

About CID 162334372

CID 162334372 (PubChem CID 162334372) has the molecular formula C2H5ClNaO2 and a molecular weight of 119.50 g/mol.

Molecular Properties

Compound NameCID 162334372
PubChem CID162334372
Molecular FormulaC2H5ClNaO2
Molecular Weight119.50 g/mol
Exact Mass118.99
IUPAC Name—
SMILESOCC(O)Cl.[Na]
InChIInChI=1S/C2H5ClO2.Na/c3-2(5)1-4;/h2,4-5H,1H2;
InChIKeyHSZAFGSRDPBOLC-UHFFFAOYSA-N
XLogP-0.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.50
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 162334372?
The IUPAC name of CID 162334372 (CID 162334372) is not available.
What is the SMILES notation for CID 162334372?
The canonical SMILES for CID 162334372 is OCC(O)Cl.[Na].
What is the InChIKey of CID 162334372?
The InChIKey is HSZAFGSRDPBOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5ClO2.Na/c3-2(5)1-4;/h2,4-5H,1H2;.
What are the key properties of CID 162334372?
CID 162334372 has a molecular weight of 119.50 g/mol, XLogP of -0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162334372 is sourced from PubChem (CID 162334372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).