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

2-Furanacetic acid 2-bromoethyl ester

HCID 53716802
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(Cc1ccco1)OCCBr
InChIKey
CEKDPLZEKUFTDE-UHFFFAOYSA-N
Molecular formula
C8H9BrO3
Average molar mass
233.06 g/mol

Names & identifiers

Preferred name
2-Furanacetic acid 2-bromoethyl ester
IUPAC
2-bromoethyl 2-(furan-2-yl)acetate

Names & synonyms

SCHEMBL11802710CEKDPLZEKUFTDE-UHFFFAOYSA-N2-furanacetic acid 2-bromoethyl ester

Database identifiers

PubChem CID
53716802

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
39.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
12
Formal charge
0
Complexity
149

Related reactions

2 records
New reaction record
HRID 190789 reaction equation
HRID 190789As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1580498 reaction equation
HRID 1580498As productuspto-grants-1976_01

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes