ethyl 2-bromoacetate;zinc

C4H6BrO2Zn- — CID 130407816

IUPACethyl 2-bromoacetate;zinc
SMILESCCOC(=O)[CH-]Br.[Zn]
InChIInChI=1S/C4H6BrO2.Zn/c1-2-7-4(6)3-5;/h3H,2H2,1H3;/q-1;
InChIKeyQIFWAHVLYNYXTH-UHFFFAOYSA-N
MW231.38 g/mol
LogP1.10
Rot. Bonds2

About ethyl 2-bromoacetate;zinc

ethyl 2-bromoacetate;zinc (PubChem CID 130407816) has the molecular formula C4H6BrO2Zn- and a molecular weight of 231.38 g/mol. Its IUPAC name is ethyl 2-bromoacetate;zinc.

Molecular Properties

Compound Nameethyl 2-bromoacetate;zinc
PubChem CID130407816
Molecular FormulaC4H6BrO2Zn-
Molecular Weight231.38 g/mol
Exact Mass228.88
IUPAC Nameethyl 2-bromoacetate;zinc
SMILESCCOC(=O)[CH-]Br.[Zn]
InChIInChI=1S/C4H6BrO2.Zn/c1-2-7-4(6)3-5;/h3H,2H2,1H3;/q-1;
InChIKeyQIFWAHVLYNYXTH-UHFFFAOYSA-N
XLogP1.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-bromoacetate;zinc?
The IUPAC name of ethyl 2-bromoacetate;zinc (CID 130407816) is ethyl 2-bromoacetate;zinc.
What is the SMILES notation for ethyl 2-bromoacetate;zinc?
The canonical SMILES for ethyl 2-bromoacetate;zinc is CCOC(=O)[CH-]Br.[Zn].
What is the InChIKey of ethyl 2-bromoacetate;zinc?
The InChIKey is QIFWAHVLYNYXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BrO2.Zn/c1-2-7-4(6)3-5;/h3H,2H2,1H3;/q-1;.
What are the key properties of ethyl 2-bromoacetate;zinc?
ethyl 2-bromoacetate;zinc has a molecular weight of 231.38 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-bromoacetate;zinc is sourced from PubChem (CID 130407816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).