3-(Cyanomethoxy)benzamide
Basic information
- CAS
500866-02-4- Standard SMILES
N#CCOc1cccc(C(N)=O)c1- InChIKey
FVVQWUVCIOHNGJ-UHFFFAOYSA-N- Molecular formula
- C9H8N2O2
- Average molar mass
- 176.17 g/mol
- Monoisotopic mass
- 176.0585775
Names & identifiers
- Preferred name
- 3-(Cyanomethoxy)benzamide
- IUPAC
- 3-(cyanomethoxy)benzamide
Names & synonyms
3-(cyanomethoxy)benzamide500866-02-4NSC610284Benzamide, 3-(cyanomethoxy)-SCHEMBL3058669DTXSID001311939NSC-610284
Database identifiers
- CAS
500866-02-4- PubChem CID
- 355822
- DTXSID
DTXSID001311939
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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