Basic information
- CAS
358632-71-0- Standard SMILES
N#CCc1ccccc1C(N)=O- InChIKey
KOHOTMOOESKQGE-UHFFFAOYSA-N- Molecular formula
- C9H8N2O
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.06366288
Names & identifiers
- Preferred name
- 2-(Cyanomethyl)benzamide
- IUPAC
- 2-(cyanomethyl)benzamide
- English name
- Benzamide, 2-(cyanomethyl)- (9CI)
- Molecular formula
- C9H8N2O
- Molecular weight
- 160.17262
Names & synonyms
2-(cyanomethyl)benzamide358632-71-0Benzamide,2-(cyanomethyl)-SCHEMBL2863807SCHEMBL3068353DTXSID00603191BENZAMIDE, 2-(CYANOMETHYL)-DB-284883AC-907/34120055Benzamide, 2-(cyanomethyl)- (9CI)
Database identifiers
- CAS
358632-71-0- PubChem CID
- 20163785
- DTXSID
DTXSID00603191
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 216
Chemistry & industry
Suppliers1 total
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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