magnesium;2-chloroacetate;chloride

C2H2Cl2MgO2 — CID 18003403

IUPACmagnesium;2-chloroacetate;chloride
SMILESO=C([O-])CCl.[Cl-].[Mg+2]
InChIInChI=1S/C2H3ClO2.ClH.Mg/c3-1-2(4)5;;/h1H2,(H,4,5);1H;/q;;+2/p-2
InChIKeyFQJYGNZBLZBJLS-UHFFFAOYSA-L
MW153.25 g/mol
LogP-4.40
Rot. Bonds1

About magnesium;2-chloroacetate;chloride

magnesium;2-chloroacetate;chloride (PubChem CID 18003403) has the molecular formula C2H2Cl2MgO2 and a molecular weight of 153.25 g/mol. Its IUPAC name is magnesium;2-chloroacetate;chloride.

Molecular Properties

Compound Namemagnesium;2-chloroacetate;chloride
PubChem CID18003403
Molecular FormulaC2H2Cl2MgO2
Molecular Weight153.25 g/mol
Exact Mass151.93
IUPAC Namemagnesium;2-chloroacetate;chloride
SMILESO=C([O-])CCl.[Cl-].[Mg+2]
InChIInChI=1S/C2H3ClO2.ClH.Mg/c3-1-2(4)5;;/h1H2,(H,4,5);1H;/q;;+2/p-2
InChIKeyFQJYGNZBLZBJLS-UHFFFAOYSA-L
XLogP-4.40
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 5-4.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze magnesium;2-chloroacetate;chloride with MolForge

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

Launch Full Analysis

Related Compounds

beryllium bis(2-chloroacetate)
CID 146405283
tris(2-chloroacetate);iron(3+)
CID 54761770
potassium;sodium;bis(2-chloroacetate)
CID 157286926
magnesium;2-chloroacetate;prop-2-enoate
CID 22987449
magnesium;2-hydroxyacetate;chloride
CID 18799087
azanide;2-chloroacetate;cobalt(3+);nitric acid
CID 54603513
tetrakis(2-chloroacetate);tetrakis(cobalt(3+));tris(dichloromethane);tetrakis(oxygen(2-));tetrakis(pyridine)
CID 139049867
3-chloro-2-oxopropanoate
CID 51409882
dichloromethane;palladium(2+);diacetate
CID 175069770
4-chlorobutanoate chloride
CID 22118176
sodium;2-chloroacetate;1,4-dinitrobenzene
CID 88733321
magnesium;zinc;propanoate
CID 22462046

Frequently Asked Questions

What is the IUPAC name of magnesium;2-chloroacetate;chloride?
The IUPAC name of magnesium;2-chloroacetate;chloride (CID 18003403) is magnesium;2-chloroacetate;chloride.
What is the SMILES notation for magnesium;2-chloroacetate;chloride?
The canonical SMILES for magnesium;2-chloroacetate;chloride is O=C([O-])CCl.[Cl-].[Mg+2].
What is the InChIKey of magnesium;2-chloroacetate;chloride?
The InChIKey is FQJYGNZBLZBJLS-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H3ClO2.ClH.Mg/c3-1-2(4)5;;/h1H2,(H,4,5);1H;/q;;+2/p-2.
What are the key properties of magnesium;2-chloroacetate;chloride?
magnesium;2-chloroacetate;chloride has a molecular weight of 153.25 g/mol, XLogP of -4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-chloroacetate;chloride is sourced from PubChem (CID 18003403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).