2-((3-Chloro-4-fluorophenyl)azo)-2-cyanoacetamide
Basic information
- CAS
159831-71-7- Standard SMILES
N#CC(N=Nc1ccc(F)c(Cl)c1)C(N)=O- InChIKey
XDXCCCLJIHCNIL-UHFFFAOYSA-N- Molecular formula
- C9H6ClFN4O
- Average molar mass
- 240.62 g/mol
- Monoisotopic mass
- 240.0214167
Names & identifiers
- Preferred name
- 2-((3-Chloro-4-fluorophenyl)azo)-2-cyanoacetamide
- IUPAC
- 2-[(3-chloro-4-fluorophenyl)diazenyl]-2-cyanoacetamide
Names & synonyms
2-((3-Chloro-4-fluorophenyl)azo)-2-cyanoacetamideAcetamide, 2-((3-chloro-4-fluorophenyl)azo)-2-cyano-159831-71-7
Database identifiers
- CAS
159831-71-7- PubChem CID
- 3074576
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 340
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Compound notes
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