sodium;chloro 2-(2-chloroacetyl)oxyacetate;hydride

C4H5Cl2NaO4 — CID 174663738

IUPACsodium;chloro 2-(2-chloroacetyl)oxyacetate;hydride
SMILESO=C(COC(=O)CCl)OCl.[H-].[Na+]
InChIInChI=1S/C4H4Cl2O4.Na.H/c5-1-3(7)9-2-4(8)10-6;;/h1-2H2;;/q;+1;-1
InChIKeyNIIHSGLZQPXWJE-UHFFFAOYSA-N
MW210.98 g/mol
LogP-2.42
Rot. Bonds3

About sodium;chloro 2-(2-chloroacetyl)oxyacetate;hydride

sodium;chloro 2-(2-chloroacetyl)oxyacetate;hydride (PubChem CID 174663738) has the molecular formula C4H5Cl2NaO4 and a molecular weight of 210.98 g/mol. Its IUPAC name is sodium;chloro 2-(2-chloroacetyl)oxyacetate;hydride.

Molecular Properties

Compound Namesodium;chloro 2-(2-chloroacetyl)oxyacetate;hydride
PubChem CID174663738
Molecular FormulaC4H5Cl2NaO4
Molecular Weight210.98 g/mol
Exact Mass209.95
IUPAC Namesodium;chloro 2-(2-chloroacetyl)oxyacetate;hydride
SMILESO=C(COC(=O)CCl)OCl.[H-].[Na+]
InChIInChI=1S/C4H4Cl2O4.Na.H/c5-1-3(7)9-2-4(8)10-6;;/h1-2H2;;/q;+1;-1
InChIKeyNIIHSGLZQPXWJE-UHFFFAOYSA-N
XLogP-2.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.98
LogP ≤ 5-2.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(2-chlorooxy-2-oxoethyl) oxalate
CID 174369244
(2-chlorooxy-2-oxoethyl) octadecanoate
CID 174708264
ethyl 2-chloroacetate
CID 7751
(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl) 2-(2-chloroacetyl)oxyacetate
CID 58106028
2-adamantyl 2-(2-chloroacetyl)oxyacetate
CID 58105964
sodium;dodecyl 2-chloroacetate;hydride
CID 175130022
sodium;2-chloroacetamide;hydride
CID 175092720
(2-chloroacetyl) 2-chloroacetate
CID 10946
chloro 2-chloroethaneperoxoate
CID 87091274
1-adamantylmethyl 2-(2-chloroacetyl)oxyacetate
CID 58106016
sodium;hydride;(2-oxo-2-propanoyloxyethyl) propanoate
CID 175477931
(2-ethyl-2-adamantyl) 2-(2-chloroacetyl)oxyacetate
CID 58105934

Frequently Asked Questions

What is the IUPAC name of sodium;chloro 2-(2-chloroacetyl)oxyacetate;hydride?
The IUPAC name of sodium;chloro 2-(2-chloroacetyl)oxyacetate;hydride (CID 174663738) is sodium;chloro 2-(2-chloroacetyl)oxyacetate;hydride.
What is the SMILES notation for sodium;chloro 2-(2-chloroacetyl)oxyacetate;hydride?
The canonical SMILES for sodium;chloro 2-(2-chloroacetyl)oxyacetate;hydride is O=C(COC(=O)CCl)OCl.[H-].[Na+].
What is the InChIKey of sodium;chloro 2-(2-chloroacetyl)oxyacetate;hydride?
The InChIKey is NIIHSGLZQPXWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4Cl2O4.Na.H/c5-1-3(7)9-2-4(8)10-6;;/h1-2H2;;/q;+1;-1.
What are the key properties of sodium;chloro 2-(2-chloroacetyl)oxyacetate;hydride?
sodium;chloro 2-(2-chloroacetyl)oxyacetate;hydride has a molecular weight of 210.98 g/mol, XLogP of -2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;chloro 2-(2-chloroacetyl)oxyacetate;hydride is sourced from PubChem (CID 174663738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).