Basic information
- CAS
39959-98-3- Standard SMILES
CCOC(=O)C(C#N)Cc1cccc(Cl)c1Cl- InChIKey
GSOAUIULIQZAHG-UHFFFAOYSA-N- Molecular formula
- C12H11Cl2NO2
- Average molar mass
- 272.12 g/mol
- Monoisotopic mass
- 271.016684
Names & identifiers
- Preferred name
- Ethyl 2-cyano-3-(2,3-dichlorophenyl)propanoate
- IUPAC
- ethyl 2-cyano-3-(2,3-dichlorophenyl)propanoate
- English name
- ethyl 2-cyano-3-(2,3-dichlorophenyl)propanoate
- Molecular formula
- C12H11Cl2NO2
- Molecular weight
- 272.13
Names & synonyms
ethyl 2-cyano-3-(2,3-dichlorophenyl)propanoate39959-98-3SCHEMBL14720157GSOAUIULIQZAHG-UHFFFAOYSA-NDTXSID301262606ethyl2-cyano-3-(2,3-dichlorophenyl)propanoateW17802Ethyl 2,3-dichloro-I+/--cyanobenzenepropanoateethyl 2-cyano-3-(2,3-dichlorophenyl)propanoate（WS204427）Benzenepropanoic acid, 2,3-dichloro-α-cyano-, ethyl ester
Database identifiers
- CAS
39959-98-3- PubChem CID
- 71270754
- DTXSID
DTXSID301262606
Properties
Computed structural properties
- XLogP
- 3.6
- 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
- 313
Physicochemical properties
- Boiling point
- 402.1 · 402.1±40.0 °C(Predicted)
- Density
- 1.299 · 1.299±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
北京亿思研科技开发中心010-56645598 13366904824 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
Related reactions
4 records
Compound notes
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