hydrogen peroxide;1H-indene;hydrobromide

C9H11BrO2 — CID 158452751

IUPAChydrogen peroxide;1H-indene;hydrobromide
SMILESBr.C1=Cc2ccccc2C1.OO
InChIInChI=1S/C9H8.BrH.H2O2/c1-2-5-9-7-3-6-8(9)4-1;;1-2/h1-6H,7H2;1H;1-2H
InChIKeyHEETYOLTNZGFTM-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.85
Rot. Bonds

About hydrogen peroxide;1H-indene;hydrobromide

hydrogen peroxide;1H-indene;hydrobromide (PubChem CID 158452751) has the molecular formula C9H11BrO2 and a molecular weight of 231.09 g/mol. Its IUPAC name is hydrogen peroxide;1H-indene;hydrobromide.

Molecular Properties

Compound Namehydrogen peroxide;1H-indene;hydrobromide
PubChem CID158452751
Molecular FormulaC9H11BrO2
Molecular Weight231.09 g/mol
Exact Mass229.99
IUPAC Namehydrogen peroxide;1H-indene;hydrobromide
SMILESBr.C1=Cc2ccccc2C1.OO
InChIInChI=1S/C9H8.BrH.H2O2/c1-2-5-9-7-3-6-8(9)4-1;;1-2/h1-6H,7H2;1H;1-2H
InChIKeyHEETYOLTNZGFTM-UHFFFAOYSA-N
XLogP2.85
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydrogen peroxide;1H-indene;hydrobromide?
The IUPAC name of hydrogen peroxide;1H-indene;hydrobromide (CID 158452751) is hydrogen peroxide;1H-indene;hydrobromide.
What is the SMILES notation for hydrogen peroxide;1H-indene;hydrobromide?
The canonical SMILES for hydrogen peroxide;1H-indene;hydrobromide is Br.C1=Cc2ccccc2C1.OO.
What is the InChIKey of hydrogen peroxide;1H-indene;hydrobromide?
The InChIKey is HEETYOLTNZGFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8.BrH.H2O2/c1-2-5-9-7-3-6-8(9)4-1;;1-2/h1-6H,7H2;1H;1-2H.
What are the key properties of hydrogen peroxide;1H-indene;hydrobromide?
hydrogen peroxide;1H-indene;hydrobromide has a molecular weight of 231.09 g/mol, XLogP of 2.85, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen peroxide;1H-indene;hydrobromide is sourced from PubChem (CID 158452751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).