ethyl 2-bromoacetate;gold(1+)

C4H6AuBrO2 — CID 174891497

IUPACethyl 2-bromoacetate;gold(1+)
SMILESCCOC(=O)[CH-]Br.[Au+]
InChIInChI=1S/C4H6BrO2.Au/c1-2-7-4(6)3-5;/h3H,2H2,1H3;/q-1;+1
InChIKeySEPUXPSHGJCIFY-UHFFFAOYSA-N
MW362.96 g/mol
LogP1.10
Rot. Bonds2

About ethyl 2-bromoacetate;gold(1+)

ethyl 2-bromoacetate;gold(1+) (PubChem CID 174891497) has the molecular formula C4H6AuBrO2 and a molecular weight of 362.96 g/mol. Its IUPAC name is ethyl 2-bromoacetate;gold(1+).

Molecular Properties

Compound Nameethyl 2-bromoacetate;gold(1+)
PubChem CID174891497
Molecular FormulaC4H6AuBrO2
Molecular Weight362.96 g/mol
Exact Mass361.92
IUPAC Nameethyl 2-bromoacetate;gold(1+)
SMILESCCOC(=O)[CH-]Br.[Au+]
InChIInChI=1S/C4H6BrO2.Au/c1-2-7-4(6)3-5;/h3H,2H2,1H3;/q-1;+1
InChIKeySEPUXPSHGJCIFY-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 ≤ 500362.96
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', '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;gold(1+)?
The IUPAC name of ethyl 2-bromoacetate;gold(1+) (CID 174891497) is ethyl 2-bromoacetate;gold(1+).
What is the SMILES notation for ethyl 2-bromoacetate;gold(1+)?
The canonical SMILES for ethyl 2-bromoacetate;gold(1+) is CCOC(=O)[CH-]Br.[Au+].
What is the InChIKey of ethyl 2-bromoacetate;gold(1+)?
The InChIKey is SEPUXPSHGJCIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BrO2.Au/c1-2-7-4(6)3-5;/h3H,2H2,1H3;/q-1;+1.
What are the key properties of ethyl 2-bromoacetate;gold(1+)?
ethyl 2-bromoacetate;gold(1+) has a molecular weight of 362.96 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;gold(1+) is sourced from PubChem (CID 174891497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).