butyl hypobromite;hydrochloride

C4H10BrClO — CID 162315703

IUPACbutyl hypobromite;hydrochloride
SMILESCCCCOBr.Cl
InChIInChI=1S/C4H9BrO.ClH/c1-2-3-4-6-5;/h2-4H2,1H3;1H
InChIKeyZBYMLIJGHRKGOP-UHFFFAOYSA-N
MW189.48 g/mol
LogP2.53
Rot. Bonds3

About butyl hypobromite;hydrochloride

butyl hypobromite;hydrochloride (PubChem CID 162315703) has the molecular formula C4H10BrClO and a molecular weight of 189.48 g/mol. Its IUPAC name is butyl hypobromite;hydrochloride.

Molecular Properties

Compound Namebutyl hypobromite;hydrochloride
PubChem CID162315703
Molecular FormulaC4H10BrClO
Molecular Weight189.48 g/mol
Exact Mass187.96
IUPAC Namebutyl hypobromite;hydrochloride
SMILESCCCCOBr.Cl
InChIInChI=1S/C4H9BrO.ClH/c1-2-3-4-6-5;/h2-4H2,1H3;1H
InChIKeyZBYMLIJGHRKGOP-UHFFFAOYSA-N
XLogP2.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.48
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl hypobromite;hydrochloride?
The IUPAC name of butyl hypobromite;hydrochloride (CID 162315703) is butyl hypobromite;hydrochloride.
What is the SMILES notation for butyl hypobromite;hydrochloride?
The canonical SMILES for butyl hypobromite;hydrochloride is CCCCOBr.Cl.
What is the InChIKey of butyl hypobromite;hydrochloride?
The InChIKey is ZBYMLIJGHRKGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9BrO.ClH/c1-2-3-4-6-5;/h2-4H2,1H3;1H.
What are the key properties of butyl hypobromite;hydrochloride?
butyl hypobromite;hydrochloride has a molecular weight of 189.48 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl hypobromite;hydrochloride is sourced from PubChem (CID 162315703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).