Ethyl 3-(4-chlorophenyl)-2-cyanobutanoate
Basic information
- CAS
55417-58-8- Standard SMILES
CCOC(=O)C(C#N)C(C)c1ccc(Cl)cc1- InChIKey
WHQHRKUOVFPKHH-UHFFFAOYSA-N- Molecular formula
- C13H14ClNO2
- Average molar mass
- 251.71 g/mol
- Monoisotopic mass
- 251.0713064
Names & identifiers
- Preferred name
- Ethyl 3-(4-chlorophenyl)-2-cyanobutanoate
- IUPAC
- ethyl 3-(4-chlorophenyl)-2-cyanobutanoate
Names & synonyms
ethyl 3-(4-chlorophenyl)-2-cyanobutanoate55417-58-8DTXSID70970766RefChem:1084844DTXCID401398292BRN 2133284Ethyl 4-chloro-alpha-cyano-beta-methylbenzenepropanoateHydrocinnamic acid, 4-chloro-alpha-cyano-beta-methyl-, ethyl esterBenzenepropanoic acid, 4-chloro-alpha-cyano-beta-methyl-, ethyl ester
Database identifiers
- CAS
55417-58-8- PubChem CID
- 64887
- DTXSID
DTXSID70970766
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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