2-Propenoic acid, 2-cyano-3-(3,4-dichlorophenyl)-, ethyl ester
Basic information
- CAS
55417-50-0- Standard SMILES
CCOC(=O)C(C#N)=Cc1ccc(Cl)c(Cl)c1- InChIKey
BAGNYLHFEFULOF-UHFFFAOYSA-N- Molecular formula
- C12H9Cl2NO2
- Average molar mass
- 270.11 g/mol
- Monoisotopic mass
- 269.0010339
Names & identifiers
- Preferred name
- 2-Propenoic acid, 2-cyano-3-(3,4-dichlorophenyl)-, ethyl ester
- IUPAC
- ethyl 2-cyano-3-(3,4-dichlorophenyl)prop-2-enoate
Names & synonyms
55417-50-02-Propenoic acid, 2-cyano-3-(3,4-dichlorophenyl)-, ethyl esterRefChem:266288ethyl 2-cyano-3-(3,4-dichlorophenyl)prop-2-enoate2-Cyano-3-(3,4-dichloro-phenyl)-acrylic acid ethyl ester343878-64-8SCHEMBL3610679DTXSID601179858AKOS024384294DB-326358
Database identifiers
- CAS
55417-50-0- PubChem CID
- 98400
- DTXSID
DTXSID601179858- EC Number
- 259-629-6
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 359
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Compound notes
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