Basic information
- CAS
485317-94-0- Standard SMILES
N#Cc1ccc(N2C(=O)C3C4C=CC(C4)C3C2=O)c(Cl)c1- InChIKey
XFOBJOYBTWCGAT-UHFFFAOYSA-N- Molecular formula
- C16H11ClN2O2
- Average molar mass
- 298.72 g/mol
Names & identifiers
- Preferred name
- 3-Chloro-4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)benzonitrile
- IUPAC
- 3-chloro-4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzonitrile
- English name
- 3-chloro-4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)benzonitrile
- Molecular formula
- C16H11ClN2O2
- Molecular weight
- 298.72374
Names & synonyms
AG-670/410423923-chloro-4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)benzonitrile
Database identifiers
- CAS
485317-94-0
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 61.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 562
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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