4-[[3-(2-Sulfooxyethylsulfonyl)phenyl]carbamoyl]benzenediazonium sulfate
Basic information
- CAS
82199-09-5- Standard SMILES
N#[N+]c1ccc(C(=O)Nc2cccc(S(=O)(=O)CCOS(=O)(=O)O)c2)cc1.O=S(=O)([O-])[O-]- InChIKey
BHQORFXMUDRBQW-UHFFFAOYSA-M- Molecular formula
- C15H14N3O11S3-
- Average molar mass
- 508.5 g/mol
- Monoisotopic mass
- 507.97904679
Names & identifiers
- Preferred name
- 4-[[3-(2-Sulfooxyethylsulfonyl)phenyl]carbamoyl]benzenediazonium sulfate
- IUPAC
- 4-[[3-(2-sulfooxyethylsulfonyl)phenyl]carbamoyl]benzenediazonium sulfate
- English name
- Benzenediazonium,4-[[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]carbonyl]-,sulfate(2:1)
- Molecular formula
- C15H14N3O11S3-
- Molecular weight
- 508.47
Names & synonyms
Benzenediazonium,4-[[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]carbonyl]-,sulfate(2:1)Benzenediazonium, 4-[[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]carbonyl]-, sulfate (2:1) (9CI, ACI)
Database identifiers
- CAS
82199-09-5- PubChem CID
- 73556901
Properties
Computed structural properties
- Topological polar surface area
- 260 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- -1
- Complexity
- 831
Physicochemical properties
- EPA Substance Registry System
- 4 · Benzenediazonium, 4-[[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]carbonyl]-, sulfate (2:1) (82199-09-5)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…