Basic information
- CAS
868519-87-3- Standard SMILES
C=C=C(N=[N+]=[N-])S(=O)(=O)c1ccccc1- InChIKey
NMRYKQRNGKLKOE-UHFFFAOYSA-N- Molecular formula
- C9H7N3O2S
- Average molar mass
- 221.24 g/mol
- Monoisotopic mass
- 221.02589765
Names & identifiers
- Preferred name
- Benzene, [(1-azido-1,2-propadienyl)sulfonyl]-
- IUPAC
- 1-azidopropa-1,2-dienylsulfonylbenzene
Names & synonyms
Benzene, [(1-azido-1,2-propadienyl)sulfonyl]-868519-87-3DTXSID80469717(1-Azidopropadiene-1-sulfonyl)benzene
Database identifiers
- CAS
868519-87-3- PubChem CID
- 11629923
- DTXSID
DTXSID80469717- Nikkaji
- J2.232.220F
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 56.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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