Basic information
- CAS
31464-02-5- Standard SMILES
N#CCCNc1ccc(N=Nc2ccc(Cl)cc2)cc1- InChIKey
IGAPODPTMCMTIJ-UHFFFAOYSA-N- Molecular formula
- C15H13ClN4
- Average molar mass
- 284.74 g/mol
- Monoisotopic mass
- 284.0828741
Names & identifiers
- Preferred name
- 3-{4-[(4-Chlorophenyl)diazenyl]anilino}propanenitrile
- IUPAC
- 3-[4-[(4-chlorophenyl)diazenyl]anilino]propanenitrile
Names & synonyms
3-{4-[(4-Chlorophenyl)diazenyl]anilino}propanenitrileDTXSID201037521CCG-5463031464-02-5SR-01000643719-1
Database identifiers
- CAS
31464-02-5- PubChem CID
- 2818367
- DTXSID
DTXSID201037521
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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