Ethyl 3-(2-chloroanilino)but-2-enoate
Basic information
- CAS
42792-92-7- Standard SMILES
CCOC(=O)C=C(C)Nc1ccccc1Cl- InChIKey
STHTXVXBSQSOIG-UHFFFAOYSA-N- Molecular formula
- C12H14ClNO2
- Average molar mass
- 239.7 g/mol
- Monoisotopic mass
- 239.0713064
Names & identifiers
- Preferred name
- Ethyl 3-(2-chloroanilino)but-2-enoate
- IUPAC
- ethyl 3-(2-chloroanilino)but-2-enoate
- English name
- Ethyl (Z)-3-(2-chlorophenylamino)crotonate
- Molecular formula
- C12H14ClNO2
- Molecular weight
- 239.7
Names & synonyms
42792-92-7ETHYL (Z)-3-(2-CHLOROPHENYLAMINO)CROTONATEEthyl 3-(2-chloroanilino)but-2-enoateDTXSID706998042-Butenoic acid, 3-[(2-chlorophenyl)amino]-, ethyl ester
Database identifiers
- CAS
42792-92-7- PubChem CID
- 53428596
- DTXSID
DTXSID70699804
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Boiling point
- 332.301 · 332.301±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.197 · 1.197±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -1.125 · -1.125±0.70(predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
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Compound notes
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