ethyl 2-bromo-2-hydroxyacetate

C4H7BrO3 — CID 57173380

IUPACethyl 2-bromo-2-hydroxyacetate
SMILESCCOC(=O)C(O)Br
InChIInChI=1S/C4H7BrO3/c1-2-8-4(7)3(5)6/h3,6H,2H2,1H3
InChIKeyKFDIXWYADAPEMC-UHFFFAOYSA-N
MW183.00 g/mol
LogP0.26
Rot. Bonds2

About ethyl 2-bromo-2-hydroxyacetate

ethyl 2-bromo-2-hydroxyacetate (PubChem CID 57173380) has the molecular formula C4H7BrO3 and a molecular weight of 183.00 g/mol. Its IUPAC name is ethyl 2-bromo-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-bromo-2-hydroxyacetate
PubChem CID57173380
Molecular FormulaC4H7BrO3
Molecular Weight183.00 g/mol
Exact Mass181.96
IUPAC Nameethyl 2-bromo-2-hydroxyacetate
SMILESCCOC(=O)C(O)Br
InChIInChI=1S/C4H7BrO3/c1-2-8-4(7)3(5)6/h3,6H,2H2,1H3
InChIKeyKFDIXWYADAPEMC-UHFFFAOYSA-N
XLogP0.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.00
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2R)-2-bromopropanoate
CID 7003709
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CID 87714166
ethyl 3-bromo-2-hydroxypentanoate
CID 11096261
ethyl 2-hydroxypropanoate;sulfane
CID 162209332
ethyl 2-amino-2-hydroxyacetate;hydrochloride
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ethyl 2-hydroxybutanoate
CID 521365
ethyl 2-chloro-2-hydroxyacetate
CID 19966506
diethyl (2S)-2-bromobutanedioate
CID 10422366
diethyl 2-bromo-3-methylbutanedioate
CID 22292929
ethyl 2-bromo-4-hydroxybutanoate
CID 13439669
ethyl (2R,3S)-3-hydroxy-2-methylbutanoate
CID 642623
ethyl 2-bromo-4,4-dimethyl-3-oxopentanoate
CID 13015596

Frequently Asked Questions

What is the IUPAC name of ethyl 2-bromo-2-hydroxyacetate?
The IUPAC name of ethyl 2-bromo-2-hydroxyacetate (CID 57173380) is ethyl 2-bromo-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-bromo-2-hydroxyacetate?
The canonical SMILES for ethyl 2-bromo-2-hydroxyacetate is CCOC(=O)C(O)Br.
What is the InChIKey of ethyl 2-bromo-2-hydroxyacetate?
The InChIKey is KFDIXWYADAPEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7BrO3/c1-2-8-4(7)3(5)6/h3,6H,2H2,1H3.
What are the key properties of ethyl 2-bromo-2-hydroxyacetate?
ethyl 2-bromo-2-hydroxyacetate has a molecular weight of 183.00 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-bromo-2-hydroxyacetate is sourced from PubChem (CID 57173380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).