Basic information
- Standard SMILES
CCOC(=O)Cc1c(Cl)ccc2ccc(C#N)cc12- InChIKey
DAJIEDUBKQYLHB-UHFFFAOYSA-N- Molecular formula
- C15H12ClNO2
- Average molar mass
- 273.71 g/mol
Names & identifiers
- Preferred name
- (2-Chloro-7-cyano-naphthalen-1-yl)-acetic acid ethyl ester
- IUPAC
- ethyl 2-(2-chloro-7-cyanonaphthalen-1-yl)acetate
Names & synonyms
SCHEMBL991950DAJIEDUBKQYLHB-UHFFFAOYSA-N(2-Chloro-7-cyano-naphthalen-1-yl)-acetic acid ethyl ester
Database identifiers
- PubChem CID
- 66869743
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 376
Related reactions
7 records
Compound notes
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