4-[(2,3-Dichlorophenoxy)methyl]benzonitrile
Basic information
- CAS
951909-22-1- Standard SMILES
N#Cc1ccc(COc2cccc(Cl)c2Cl)cc1- InChIKey
MYUQWLZDBMOYOM-UHFFFAOYSA-N- Molecular formula
- C14H9Cl2NO
- Average molar mass
- 278.1 g/mol
- Monoisotopic mass
- 277.0061193
Names & identifiers
- Preferred name
- 4-[(2,3-Dichlorophenoxy)methyl]benzonitrile
- IUPAC
- 4-[(2,3-dichlorophenoxy)methyl]benzonitrile
- English name
- 4-(2,3-dichlorophenoxymethyl)benzonitrile
- Molecular formula
- C14H9Cl2NO
- Molecular weight
- 278.13336
Names & synonyms
CHEMBL5485462AKOS0084036704-(2,3-dichlorophenoxymethyl)benzonitrile
Database identifiers
- CAS
951909-22-1- PubChem CID
- 22688377
- ChEMBL
CHEMBL5485462
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 306
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…