sodium;ethaneperoxoic acid;bromide

C2H4BrNaO3 — CID 175568504

IUPACsodium;ethaneperoxoic acid;bromide
SMILESCC(=O)OO.[Br-].[Na+]
InChIInChI=1S/C2H4O3.BrH.Na/c1-2(3)5-4;;/h4H,1H3;1H;/q;;+1/p-1
InChIKeyNTMOOFGMYOLHHV-UHFFFAOYSA-M
MW178.94 g/mol
LogP-5.97
Rot. Bonds

About sodium;ethaneperoxoic acid;bromide

sodium;ethaneperoxoic acid;bromide (PubChem CID 175568504) has the molecular formula C2H4BrNaO3 and a molecular weight of 178.94 g/mol. Its IUPAC name is sodium;ethaneperoxoic acid;bromide.

Molecular Properties

Compound Namesodium;ethaneperoxoic acid;bromide
PubChem CID175568504
Molecular FormulaC2H4BrNaO3
Molecular Weight178.94 g/mol
Exact Mass177.92
IUPAC Namesodium;ethaneperoxoic acid;bromide
SMILESCC(=O)OO.[Br-].[Na+]
InChIInChI=1S/C2H4O3.BrH.Na/c1-2(3)5-4;;/h4H,1H3;1H;/q;;+1/p-1
InChIKeyNTMOOFGMYOLHHV-UHFFFAOYSA-M
XLogP-5.97
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.94
LogP ≤ 5-5.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

CID 87069860
CID 87069860
aluminum ethaneperoxoic acid
CID 22172567
ethaneperoxoic acid;yttrium
CID 88646363
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CID 87103299
ethaneperoxoic acid;methoxymethane
CID 87834215
ethane;ethaneperoxoic acid;methanamine
CID 159871057
acetonitrile;ethaneperoxoic acid
CID 160709042
butanedioic acid;ethaneperoxoic acid
CID 160919533
ethaneperoxoic acid;octane
CID 87879495
disodium bis(triacetyloxyboranuide)
CID 158744118
N'-(2-aminoethyl)ethane-1,2-diamine;ethaneperoxoic acid
CID 157318736
ethaneperoxoic acid;toluene
CID 158922326

Frequently Asked Questions

What is the IUPAC name of sodium;ethaneperoxoic acid;bromide?
The IUPAC name of sodium;ethaneperoxoic acid;bromide (CID 175568504) is sodium;ethaneperoxoic acid;bromide.
What is the SMILES notation for sodium;ethaneperoxoic acid;bromide?
The canonical SMILES for sodium;ethaneperoxoic acid;bromide is CC(=O)OO.[Br-].[Na+].
What is the InChIKey of sodium;ethaneperoxoic acid;bromide?
The InChIKey is NTMOOFGMYOLHHV-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4O3.BrH.Na/c1-2(3)5-4;;/h4H,1H3;1H;/q;;+1/p-1.
What are the key properties of sodium;ethaneperoxoic acid;bromide?
sodium;ethaneperoxoic acid;bromide has a molecular weight of 178.94 g/mol, XLogP of -5.97, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethaneperoxoic acid;bromide is sourced from PubChem (CID 175568504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).