Basic information
- CAS
35327-73-2- Standard SMILES
C[N+]12CCCCC1Oc1ccccc12.[Br-]- InChIKey
UXHNHVUHRSLHNP-UHFFFAOYSA-M- Molecular formula
- C12H16BrNO
- Average molar mass
- 270.17 g/mol
- Monoisotopic mass
- 269.04153
Names & identifiers
- Preferred name
- 1H-Pyrido(2,1-b)benzoxazolium, 2,3,4,4a-tetrahydro-10-methyl-, bromide
- IUPAC
- 10-methyl-2,3,4,4a-tetrahydro-1H-pyrido[2,1-b][1,3]benzoxazol-10-ium bromide
Names & synonyms
35327-73-24a-Methyl-1,2,3,4,4a,10-hexahydropyrido(2,1-b)benzoxazolyl bromide1H-Pyrido(2,1-b)benzoxazolium, 2,3,4,4a-tetrahydro-10-methyl-, bromide2,3,4,4a-Tetrahydro-10-methyl-1H-pyrido(2,1-b)benzoxazolium bromideRefChem:24014910-methyl-2,3,4,4a-tetrahydro-1h-pyrido[2,1-b][1,3]benzoxazol-10-ium bromideDTXSID50956760
Database identifiers
- CAS
35327-73-2- PubChem CID
- 215260
- DTXSID
DTXSID50956760
Properties
Computed structural properties
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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