Basic information
- CAS
20604-88-0- Standard SMILES
O=C/C=C/Cl- InChIKey
ZSOPPQGHWJVKJB-OWOJBTEDSA-N- Molecular formula
- C3H3ClO
- Average molar mass
- 90.51 g/mol
- Monoisotopic mass
- 89.9872424
Overview
Trans-3-Chloroallyl aldehyde is an enal.
Names & identifiers
- Preferred name
- 3-Chloro-2-propenal
- IUPAC
- (E)-3-chloroprop-2-enal
Names & synonyms
(E)-3-chloroprop-2-enal3-Chloro-2-propenalRefChem:10675733-Chloroacroleinbeta-Chloroacroleintrans-3-Chloroallyl aldehyde20604-88-0ACROLEIN, 3-CHLORO-3-chloroprop-2-enal2-Propenal, 3-chloro-3-chloropropenal3-chloro-Acrolein
Show more names
trans-b-Chloroacroleintrans-3-Chloroacroleintrans-3-Chloro-2-propenalSCHEMBL1068261SCHEMBL4028990CHEBI:190243C06613
Database identifiers
- CAS
20604-88-0- PubChem CID
- 5280971
- ChEBI
CHEBI:190243- Nikkaji
- J2.762.491J、J83.949C
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 48.9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…