Basic information
- CAS
683-51-2- Standard SMILES
C=C(Cl)C=O- InChIKey
ZWHANXMMZRUTAY-UHFFFAOYSA-N- Molecular formula
- C3H3ClO
- Average molar mass
- 90.51 g/mol
- Monoisotopic mass
- 89.9872424
Overview
metabolite of the herbicide sulfallate
Names & identifiers
- Preferred name
- 2-Propenal, 2-chloro-
- IUPAC
- 2-chloroprop-2-enal
- English name
- 2-chloroprop-1-en-1-one
- Molecular formula
- C3H3ClO
- Molecular weight
- 0
Names & synonyms
2-Chloroacroleinalpha-Chloroacrolein2-Propenal, 2-chloro-683-51-2Acrolein, 2-chloro-6Z73YCD248DTXSID30987830RefChem:86438DTXCID1015073492-chloroprop-2-enal2-CHLOROPROPENAL2-Chloro-2-propenal
Show more names
2-Chloropropenaldehyde.alpha.-ChloroacroleinUNII-6Z73YCD248CCRIS 6865BRN 17356752-Chloroacrylaldehyde #CHLOROACROLEIN, 2-SCHEMBL222347
Database identifiers
- CAS
683-51-2- PubChem CID
- 560790
- DTXSID
DTXSID30987830- UNII
- 6Z73YCD248
- Nikkaji
- J66.951B
Properties
Computed structural properties
- XLogP
- 1.2
- 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
- 57.9
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
Chemistry & industry
Suppliers2 total
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…