Basic information
- Standard SMILES
N#CCCOCCl- InChIKey
GFJKNGXJCDLRAM-UHFFFAOYSA-N- Molecular formula
- C4H6ClNO
- Average molar mass
- 119.55 g/mol
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-Cyanoethyl chloromethyl ether
- IUPAC
- 3-(chloromethoxy)propanenitrile
Names & synonyms
2-cyanoethyl chloromethyl etherCEM-Cl etherRefChem:909753chloromethyl 2-cyanoethyl ether3-(chloromethoxy)propanenitrileSCHEMBL2107608GFJKNGXJCDLRAM-UHFFFAOYSA-NAKOS006386552
Database identifiers
- PubChem CID
- 11665405
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 75
Related reactions
10 records
Compound notes
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