4-[(3-Chloro-3H-diaziren-3-yl)oxy]benzonitrile
Basic information
- CAS
651306-49-9- Standard SMILES
N#Cc1ccc(OC2(Cl)N=N2)cc1- InChIKey
LAWQWIRTKKKOCZ-UHFFFAOYSA-N- Molecular formula
- C8H4ClN3O
- Average molar mass
- 193.59 g/mol
- Monoisotopic mass
- 193.0042895
Names & identifiers
- Preferred name
- 4-[(3-Chloro-3H-diaziren-3-yl)oxy]benzonitrile
- IUPAC
- 4-(3-chlorodiazirin-3-yl)oxybenzonitrile
Names & synonyms
651306-49-94-[(3-Chloro-3H-diaziren-3-yl)oxy]benzonitrileDTXSID507996344-[(3-Chloro-3H-diazirin-3-yl)oxy]benzonitrile
Database identifiers
- CAS
651306-49-9- PubChem CID
- 71376972
- DTXSID
DTXSID50799634
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 268
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Compound notes
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