Basic information
- Standard SMILES
N#CCOc1ccc(Cl)c(Cl)c1- InChIKey
NIQAEZYNTJNSMP-UHFFFAOYSA-N- Molecular formula
- C8H5Cl2NO
- Average molar mass
- 202.03 g/mol
Names & identifiers
- Preferred name
- 2-(3,4-Dichlorophenoxy)acetonitrile
- IUPAC
- 2-(3,4-dichlorophenoxy)acetonitrile
Names & synonyms
2-(3,4-dichlorophenoxy)acetonitrile38949-69-82-(3,4-Dichloro-phenoxy)acetonitrileMFCD00464956(3,4-dichlorophenoxy)acetonitrile3,4-dichlorophenoxyacetonitrileSCHEMBL6819751SCHEMBL15067319SCHEMBL15067336SCHEMBL15067953SCHEMBL30752524NIQAEZYNTJNSMP-UHFFFAOYSA-N
Show more names
HMS1603C08NBA94969STK3669212-(3,4-dichlorophenoxy)ethanenitrileAKOS005444083CS-0238886ST50860428EN300-201668
Database identifiers
- PubChem CID
- 2992591
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 189
Related reactions
2 records
Compound notes
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