2-Chlorobenzyl 3-(2,3-dicyanophenoxy)benzoate
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Basic information
- CAS
672340-98-6- Standard SMILES
N#Cc1cccc(Oc2cccc(C(=O)OCc3ccccc3Cl)c2)c1C#N- InChIKey
YBBNPXHNUIUMQU-UHFFFAOYSA-N- Molecular formula
- C22H13ClN2O3
- Average molar mass
- 388.8 g/mol
- Monoisotopic mass
- 388.06147
Names & identifiers
- Preferred name
- 2-Chlorobenzyl 3-(2,3-dicyanophenoxy)benzoate
- IUPAC
- (2-chlorophenyl)methyl 3-(2,3-dicyanophenoxy)benzoate
- English name
- 2-chlorobenzyl 3-(2,3-dicyanophenoxy)benzoate
- Molecular formula
- C22H13ClN2O3
- Molecular weight
- 388.8
Names & synonyms
(2-chlorophenyl)methyl 3-(2,3-dicyanophenoxy)benzoate2-chlorobenzyl 3-(2,3-dicyanophenoxy)benzoateAKOS003651110ST45107322AK-918/42179777Benzoic acid, 3-(2,3-dicyanophenoxy)-, (2-chlorophenyl)methyl ester
Database identifiers
- CAS
672340-98-6- PubChem CID
- 1218596
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 636
Physicochemical properties
- Boiling point
- 573.5 · 573.5±50.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
Related reactions
0 records
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Compound notes
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