sodium;2-bromoacetic acid;hydride

C2H4BrNaO2 — CID 174313027

IUPACsodium;2-bromoacetic acid;hydride
SMILESO=C(O)CBr.[H-].[Na+]
InChIInChI=1S/C2H3BrO2.Na.H/c3-1-2(4)5;;/h1H2,(H,4,5);;/q;+1;-1
InChIKeySUADZIIOWMBDTI-UHFFFAOYSA-N
MW162.95 g/mol
LogP-2.42
Rot. Bonds1

About sodium;2-bromoacetic acid;hydride

sodium;2-bromoacetic acid;hydride (PubChem CID 174313027) has the molecular formula C2H4BrNaO2 and a molecular weight of 162.95 g/mol. Its IUPAC name is sodium;2-bromoacetic acid;hydride.

Molecular Properties

Compound Namesodium;2-bromoacetic acid;hydride
PubChem CID174313027
Molecular FormulaC2H4BrNaO2
Molecular Weight162.95 g/mol
Exact Mass161.93
IUPAC Namesodium;2-bromoacetic acid;hydride
SMILESO=C(O)CBr.[H-].[Na+]
InChIInChI=1S/C2H3BrO2.Na.H/c3-1-2(4)5;;/h1H2,(H,4,5);;/q;+1;-1
InChIKeySUADZIIOWMBDTI-UHFFFAOYSA-N
XLogP-2.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.95
LogP ≤ 5-2.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

potassium;2-bromoacetic acid;hydride
CID 174303508
2-bromoacetic acid;copper
CID 174520867
2-bromoacetic acid;phosphane
CID 158895914
2-bromoacetic acid;diiminoazanium
CID 174970597
2-bromoacetic acid;2-iodoacetic acid
CID 87504398
lithium;2-bromoacetic acid;2-methylpropane
CID 158159947
2-bromoacetic acid;hexane-1,6-diol
CID 175210517
sodium;butanedioic acid;hydride;trihydrate
CID 173259329
sodium;butanedioic acid;hydride;iron
CID 173304011
sodium 2-bromoacetate
CID 23675628
sodium;carbonic acid;hydride
CID 173065911
trisodium;carbonic acid;hydride
CID 173012363

Frequently Asked Questions

What is the IUPAC name of sodium;2-bromoacetic acid;hydride?
The IUPAC name of sodium;2-bromoacetic acid;hydride (CID 174313027) is sodium;2-bromoacetic acid;hydride.
What is the SMILES notation for sodium;2-bromoacetic acid;hydride?
The canonical SMILES for sodium;2-bromoacetic acid;hydride is O=C(O)CBr.[H-].[Na+].
What is the InChIKey of sodium;2-bromoacetic acid;hydride?
The InChIKey is SUADZIIOWMBDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3BrO2.Na.H/c3-1-2(4)5;;/h1H2,(H,4,5);;/q;+1;-1.
What are the key properties of sodium;2-bromoacetic acid;hydride?
sodium;2-bromoacetic acid;hydride has a molecular weight of 162.95 g/mol, XLogP of -2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-bromoacetic acid;hydride is sourced from PubChem (CID 174313027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).