Basic information
- CAS
922735-22-6- Standard SMILES
N#CCC(O)COCc1ccc(Cl)cc1Cl- InChIKey
IYKHAWKQQZGKKJ-UHFFFAOYSA-N- Molecular formula
- C11H11Cl2NO2
- Average molar mass
- 260.11 g/mol
- Monoisotopic mass
- 259.016684
Names & identifiers
- Preferred name
- 4-[(2,4-Dichlorophenyl)methoxy]-3-hydroxybutanenitrile
- IUPAC
- 4-[(2,4-dichlorophenyl)methoxy]-3-hydroxybutanenitrile
Names & synonyms
4-[(2,4-Dichlorophenyl)methoxy]-3-hydroxybutanenitrile922735-22-6DTXSID90854650
Database identifiers
- CAS
922735-22-6- PubChem CID
- 71446151
- DTXSID
DTXSID90854650
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 254
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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