beryllium bis(2-chloroacetate)

C4H4BeCl2O4 — CID 146405283

IUPACberyllium bis(2-chloroacetate)
SMILESO=C([O-])CCl.O=C([O-])CCl.[Be+2]
InChIInChI=1S/2C2H3ClO2.Be/c2*3-1-2(4)5;/h2*1H2,(H,4,5);/q;;+2/p-2
InChIKeyCKZIUNQPEVTOOH-UHFFFAOYSA-L
MW195.99 g/mol
LogP-2.43
Rot. Bonds2

About beryllium bis(2-chloroacetate)

beryllium bis(2-chloroacetate) (PubChem CID 146405283) has the molecular formula C4H4BeCl2O4 and a molecular weight of 195.99 g/mol. Its IUPAC name is beryllium bis(2-chloroacetate).

Molecular Properties

Compound Nameberyllium bis(2-chloroacetate)
PubChem CID146405283
Molecular FormulaC4H4BeCl2O4
Molecular Weight195.99 g/mol
Exact Mass194.96
IUPAC Nameberyllium bis(2-chloroacetate)
SMILESO=C([O-])CCl.O=C([O-])CCl.[Be+2]
InChIInChI=1S/2C2H3ClO2.Be/c2*3-1-2(4)5;/h2*1H2,(H,4,5);/q;;+2/p-2
InChIKeyCKZIUNQPEVTOOH-UHFFFAOYSA-L
XLogP-2.43
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.99
LogP ≤ 5-2.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze beryllium bis(2-chloroacetate) 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

tris(2-chloroacetate);iron(3+)
CID 54761770
potassium;sodium;bis(2-chloroacetate)
CID 157286926
magnesium;2-chloroacetate;chloride
CID 18003403
azanide;2-chloroacetate;cobalt(3+);nitric acid
CID 54603513
magnesium;2-chloroacetate;prop-2-enoate
CID 22987449
3-chloro-2-oxopropanoate
CID 51409882
dichloromethane;palladium(2+);diacetate
CID 175069770
sodium;2-chloroacetate;1,4-dinitrobenzene
CID 88733321
tetrakis(2-chloroacetate);tetrakis(cobalt(3+));tris(dichloromethane);tetrakis(oxygen(2-));tetrakis(pyridine)
CID 139049867
2-chloroacetate;(4-hydroxyphenyl)azanium
CID 139083952
2-chloroacetate;triphenylstannanylium
CID 10225423
1,3-dichloropropan-2-one
CID 10793

Frequently Asked Questions

What is the IUPAC name of beryllium bis(2-chloroacetate)?
The IUPAC name of beryllium bis(2-chloroacetate) (CID 146405283) is beryllium bis(2-chloroacetate).
What is the SMILES notation for beryllium bis(2-chloroacetate)?
The canonical SMILES for beryllium bis(2-chloroacetate) is O=C([O-])CCl.O=C([O-])CCl.[Be+2].
What is the InChIKey of beryllium bis(2-chloroacetate)?
The InChIKey is CKZIUNQPEVTOOH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H3ClO2.Be/c2*3-1-2(4)5;/h2*1H2,(H,4,5);/q;;+2/p-2.
What are the key properties of beryllium bis(2-chloroacetate)?
beryllium bis(2-chloroacetate) has a molecular weight of 195.99 g/mol, XLogP of -2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for beryllium bis(2-chloroacetate) is sourced from PubChem (CID 146405283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).