HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program：[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

6-(4-Bromobut-2-enoxy)-3-(4-bromophenyl)-1-benzofuran

HCID 54068679
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
BrCC=CCOc1ccc2c(-c3ccc(Br)cc3)coc2c1
InChIKey
MEVVFXLNOHULCG-UHFFFAOYSA-N
Molecular formula
C18H14Br2O2
Average molar mass
422.1 g/mol

Names & identifiers

Preferred name
6-(4-Bromobut-2-enoxy)-3-(4-bromophenyl)-1-benzofuran
IUPAC
6-(4-bromobut-2-enoxy)-3-(4-bromophenyl)-1-benzofuran

Names & synonyms

SCHEMBL8478334

Database identifiers

PubChem CID
54068679

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
22.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
22
Formal charge
0
Complexity
366

Related reactions

1 records
New reaction record
HRID 932586 reaction equation
HRID 932586As reactantValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes