Ethyl 3-(4-chlorophenyl)-2-cyano-2-methylpropanoate
Basic information
- CAS
55417-41-9- Standard SMILES
CCOC(=O)C(C)(C#N)Cc1ccc(Cl)cc1- InChIKey
VGBPJQYEZSKJML-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-cyano-2-methylpropanoate
- IUPAC
- ethyl 3-(4-chlorophenyl)-2-cyano-2-methylpropanoate
Names & synonyms
55417-41-9ethyl 3-(4-chlorophenyl)-2-cyano-2-methylpropanoateDTXSID10970765RefChem:1084843DTXCID701398291BRN 2130652Ethyl 4-chloro-alpha-cyano-alpha-methylbenzenepropanoateHydrocinnamic acid, 4-chloro-alpha-cyano-alpha-methyl-, ethyl esterBenzenepropanoic acid, 4-chloro-alpha-cyano-alpha-methyl-, ethyl esterAKOS017547919
Database identifiers
- CAS
55417-41-9- PubChem CID
- 64886
- DTXSID
DTXSID10970765- Nikkaji
- J2.267.778K
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
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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