4-Chloro-N-(cyanomethyl)-N-methylbenzamide
Basic information
- CAS
89244-13-3- Standard SMILES
CN(CC#N)C(=O)c1ccc(Cl)cc1- InChIKey
ZBWJPHPSHFYUCU-UHFFFAOYSA-N- Molecular formula
- C10H9ClN2O
- Average molar mass
- 208.64 g/mol
- Monoisotopic mass
- 208.0403406
Names & identifiers
- Preferred name
- 4-Chloro-N-(cyanomethyl)-N-methylbenzamide
- IUPAC
- 4-chloro-N-(cyanomethyl)-N-methylbenzamide
Names & synonyms
4-Chloro-N-(cyanomethyl)-N-methylbenzamide89244-13-3DTXSID00618003RefChem:292050DTXCID60568757AKOS011176196
Database identifiers
- CAS
89244-13-3- PubChem CID
- 21784435
- DTXSID
DTXSID00618003- Nikkaji
- J939.023E
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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