Basic information
- Standard SMILES
N#Cc1cccc(OCCNC(=O)CBr)c1- InChIKey
ZAURQCLMOLVIFU-UHFFFAOYSA-N- Molecular formula
- C11H11BrN2O2
- Average molar mass
- 283.12 g/mol
- Monoisotopic mass
- 282.00039
Names & identifiers
- Preferred name
- N-[2-(3-cyanophenoxy)ethyl]bromoacetamide
- IUPAC
- 2-bromo-N-[2-(3-cyanophenoxy)ethyl]acetamide
Names & synonyms
SCHEMBL3894531ZAURQCLMOLVIFU-UHFFFAOYSA-NN-[2-(3-cyanophenoxy)ethyl]bromoacetamide
Database identifiers
- PubChem CID
- 68829328
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 274
Related reactions
2 records
Compound notes
Loading…