Basic information
- Standard SMILES
N#Cc1cccc(OCCCl)c1- InChIKey
IYWYLHUQGUIKHO-UHFFFAOYSA-N- Molecular formula
- C9H8ClNO
- Average molar mass
- 181.62 g/mol
Names & identifiers
- Preferred name
- 3-(2-Chloroethoxy)benzonitrile
- IUPAC
- 3-(2-chloroethoxy)benzonitrile
Names & synonyms
3-(2-chloroethoxy)benzonitrile97315-37-2SCHEMBL687723SCHEMBL16954390SCHEMBL31570766IYWYLHUQGUIKHO-UHFFFAOYSA-N3-[(2-chloroethyl)oxy]benzonitrileDB-150538
Database identifiers
- PubChem CID
- 13569167
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 175
Related reactions
13 records
Compound notes
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