Basic information
- CAS
538-54-5- Standard SMILES
CC(=CC#N)N=Nc1ccccc1- InChIKey
IBWZVFNDQNEBJC-UHFFFAOYSA-N- Molecular formula
- C10H9N3
- Average molar mass
- 171.2 g/mol
- Monoisotopic mass
- 171.0796473
Names & identifiers
- Preferred name
- 3-(2-Phenyldiazenyl)-2-butenenitrile
- IUPAC
- 3-phenyldiazenylbut-2-enenitrile
Names & synonyms
3-(2-Phenyldiazenyl)-2-butenenitrileDTXSID7012891753-(Phenyldiazenyl)but-2-enenitrile538-54-5
Database identifiers
- CAS
538-54-5- PubChem CID
- 2748871
- DTXSID
DTXSID701289175
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 48.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 251
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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