Basic information
- CAS
618083-63-9- Standard SMILES
C=CCOc1ccc(C(O)=C2C(=O)C(=O)N(CCOC)C2c2ccc(Cl)c(Cl)c2)cc1- InChIKey
CCNWVVSYNLLGQO-UHFFFAOYSA-N- Molecular formula
- C23H21Cl2NO5
- Average molar mass
- 462.3 g/mol
- Monoisotopic mass
- 461.0796782
Names & identifiers
- Preferred name
- 5-(3,4-dichlorophenyl)-3-hydroxy-1-(2-methoxyethyl)-4-[4-(prop-2-en-1-yloxy)benzoyl]-2,5-dihydro-1H-pyrrol-2-one
- IUPAC
- 5-(3,4-dichlorophenyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
Names & synonyms
5-(3,4-dichlorophenyl)-3-hydroxy-1-(2-methoxyethyl)-4-[4-(prop-2-en-1-yloxy)benzoyl]-2,5-dihydro-1H-pyrrol-2-one618083-63-9
Database identifiers
- CAS
618083-63-9- PubChem CID
- 3779751
- EC Number
- 135-509-8
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 704
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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