Basic information
- Standard SMILES
C=CC(=O)OCCOC(=O)Nc1cccc(Cl)c1- InChIKey
YNMZKZKGNKMPSL-UHFFFAOYSA-N- Molecular formula
- C12H12ClNO4
- Average molar mass
- 269.68 g/mol
- Monoisotopic mass
- 269.0454856
Names & identifiers
- Preferred name
- 2-{[(3-Chlorophenyl)carbamoyl]oxy}ethyl prop-2-enoate
- IUPAC
- 2-[(3-chlorophenyl)carbamoyloxy]ethyl prop-2-enoate
Names & synonyms
SCHEMBL3210614YNMZKZKGNKMPSL-UHFFFAOYSA-N2-{[(3-Chlorophenyl)carbamoyl]oxy}ethyl prop-2-enoate
Database identifiers
- PubChem CID
- 68551065
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 308
Related reactions
1 records
Compound notes
Loading…