chloromethyl hypobromite

CH2BrClO — CID 150596256

IUPACchloromethyl hypobromite
SMILESClCOBr
InChIInChI=1S/CH2BrClO/c2-4-1-3/h1H2
InChIKeyIQXLQVPLILTMBI-UHFFFAOYSA-N
MW145.38 g/mol
LogP1.51
Rot. Bonds1

About chloromethyl hypobromite

chloromethyl hypobromite (PubChem CID 150596256) has the molecular formula CH2BrClO and a molecular weight of 145.38 g/mol. Its IUPAC name is chloromethyl hypobromite.

Molecular Properties

Compound Namechloromethyl hypobromite
PubChem CID150596256
Molecular FormulaCH2BrClO
Molecular Weight145.38 g/mol
Exact Mass143.90
IUPAC Namechloromethyl hypobromite
SMILESClCOBr
InChIInChI=1S/CH2BrClO/c2-4-1-3/h1H2
InChIKeyIQXLQVPLILTMBI-UHFFFAOYSA-N
XLogP1.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.38
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloromethyl hypobromite?
The IUPAC name of chloromethyl hypobromite (CID 150596256) is chloromethyl hypobromite.
What is the SMILES notation for chloromethyl hypobromite?
The canonical SMILES for chloromethyl hypobromite is ClCOBr.
What is the InChIKey of chloromethyl hypobromite?
The InChIKey is IQXLQVPLILTMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2BrClO/c2-4-1-3/h1H2.
What are the key properties of chloromethyl hypobromite?
chloromethyl hypobromite has a molecular weight of 145.38 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl hypobromite is sourced from PubChem (CID 150596256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).