Basic information
- CAS
13576-74-4- Standard SMILES
Brc1ccc(-c2c[n+]3ccccc3o2)cc1.[O-][Cl+3]([O-])([O-])[O-]- InChIKey
UPEQFYWPXILTFZ-UHFFFAOYSA-M- Molecular formula
- C13H9BrClNO5
- Average molar mass
- 374.57 g/mol
- Monoisotopic mass
- 372.93526
Names & identifiers
- Preferred name
- 2-(4-Bromophenyl)[1,3]oxazolo[3,2-a]pyridin-4-ium perchlorate
- IUPAC
- 2-(4-bromophenyl)-[1,3]oxazolo[3,2-a]pyridin-4-ium perchlorate
Names & synonyms
13576-74-4DTXSID405700702-(4-Bromophenyl)[1,3]oxazolo[3,2-a]pyridin-4-ium perchlorateNSC129770NSC-129770
Database identifiers
- CAS
13576-74-4- PubChem CID
- 15210285
- DTXSID
DTXSID40570070
Properties
Computed structural properties
- Topological polar surface area
- 91.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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