5-Bromo-6-{[2-(2-butoxyethoxy)ethoxy]methyl}-1,3-benzodioxole

HCID 233166

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 2600-67-1
Standard SMILES: CCCCOCCOCCOCc1cc2c(cc1Br)OCO2
InChIKey: VQJILJLOTBUSBY-UHFFFAOYSA-N
Molecular formula: C16H23BrO5
Average molar mass: 375.25 g/mol
Monoisotopic mass: 374.07289

Names & identifiers

Preferred name: 5-Bromo-6-{[2-(2-butoxyethoxy)ethoxy]methyl}-1,3-benzodioxole
IUPAC: 5-bromo-6-[2-(2-butoxyethoxy)ethoxymethyl]-1,3-benzodioxole

Names & synonyms

2600-67-15-bromo-6-{[2-(2-butoxyethoxy)ethoxy]methyl}-1,3-benzodioxoleNSC31304DTXSID00283412NSC-313045-BROMO-6-{[2-(2-BUTOXYETHOXY)ETHOXY]METHYL}-2H-1,3-BENZODIOXOLE

Database identifiers

CAS: 2600-67-1
PubChem CID: 233166
DTXSID: DTXSID00283412

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 46.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 11
Heavy atoms: 22
Formal charge: 0
Complexity: 292

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…