2-bromoacetic acid;2-iodoacetic acid

C4H6BrIO4 — CID 87504398

IUPAC2-bromoacetic acid;2-iodoacetic acid
SMILESO=C(O)CBr.O=C(O)CI
InChIInChI=1S/C2H3BrO2.C2H3IO2/c2*3-1-2(4)5/h2*1H2,(H,4,5)
InChIKeyREMUXBHTORVVPA-UHFFFAOYSA-N
MW324.90 g/mol
LogP0.97
Rot. Bonds2

About 2-bromoacetic acid;2-iodoacetic acid

2-bromoacetic acid;2-iodoacetic acid (PubChem CID 87504398) has the molecular formula C4H6BrIO4 and a molecular weight of 324.90 g/mol. Its IUPAC name is 2-bromoacetic acid;2-iodoacetic acid.

Molecular Properties

Compound Name2-bromoacetic acid;2-iodoacetic acid
PubChem CID87504398
Molecular FormulaC4H6BrIO4
Molecular Weight324.90 g/mol
Exact Mass323.85
IUPAC Name2-bromoacetic acid;2-iodoacetic acid
SMILESO=C(O)CBr.O=C(O)CI
InChIInChI=1S/C2H3BrO2.C2H3IO2/c2*3-1-2(4)5/h2*1H2,(H,4,5)
InChIKeyREMUXBHTORVVPA-UHFFFAOYSA-N
XLogP0.97
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 174520867
2-bromoacetic acid;phosphane
CID 158895914
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CID 174970597
sodium;2-bromoacetic acid;hydride
CID 174313027
potassium;2-bromoacetic acid;hydride
CID 174303508
lithium;2-bromoacetic acid;2-methylpropane
CID 158159947
2-bromoacetic acid;hexane-1,6-diol
CID 175210517
2-bromoacetic acid;2-bromobutanoic acid
CID 161356058
3-bromo-2-oxo(113C)propanoic acid
CID 71309298
2-bromo-N-(iodomethyl)acetamide
CID 89129091
heptan-1-ol;2-iodoacetic acid
CID 175198935
2-bromoacetic acid;undecan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 2-bromoacetic acid;2-iodoacetic acid?
The IUPAC name of 2-bromoacetic acid;2-iodoacetic acid (CID 87504398) is 2-bromoacetic acid;2-iodoacetic acid.
What is the SMILES notation for 2-bromoacetic acid;2-iodoacetic acid?
The canonical SMILES for 2-bromoacetic acid;2-iodoacetic acid is O=C(O)CBr.O=C(O)CI.
What is the InChIKey of 2-bromoacetic acid;2-iodoacetic acid?
The InChIKey is REMUXBHTORVVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3BrO2.C2H3IO2/c2*3-1-2(4)5/h2*1H2,(H,4,5).
What are the key properties of 2-bromoacetic acid;2-iodoacetic acid?
2-bromoacetic acid;2-iodoacetic acid has a molecular weight of 324.90 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoacetic acid;2-iodoacetic acid is sourced from PubChem (CID 87504398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).