Basic information
- Standard SMILES
COC(=O)c1cc(Cl)ccc1/C=C/C#N- InChIKey
CQGLLASYFMHHJD-NSCUHMNNSA-N- Molecular formula
- C11H8ClNO2
- Average molar mass
- 221.64 g/mol
Names & identifiers
- Preferred name
- (E)-Methyl 5-chloro-2-(2-cyanovinyl)benzoate
- IUPAC
- methyl 5-chloro-2-[(E)-2-cyanoethenyl]benzoate
Names & synonyms
CQGLLASYFMHHJD-NSCUHMNNSA-N(E)-Methyl 5-chloro-2-(2-cyanovinyl)benzoate
Database identifiers
- PubChem CID
- 86647795
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 305
Related reactions
2 records
Compound notes
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