Basic information
- CAS
27827-69-6- Standard SMILES
CC1=NCC(O)COc2c(Cl)cc(Cl)cc21- InChIKey
XBRAPXXJRUXVOX-UHFFFAOYSA-N- Molecular formula
- C11H11Cl2NO2
- Average molar mass
- 260.11 g/mol
- Monoisotopic mass
- 259.016684
Names & identifiers
- Preferred name
- 3,4-Dihydro-3-hydroxy-8,10-dichloro-6-methyl-1,5-benzoxazocine
- IUPAC
- 8,10-dichloro-6-methyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol
- English name
- 8,10-Dichloro-3,4-dihydro-6-methyl-2H-1,5-benzoxazocin-3-ol
- Molecular formula
- C11H11Cl2NO2
- Molecular weight
- 260.12
Names & synonyms
3,4-Dihydro-3-hydroxy-8,10-dichloro-6-methyl-1,5-benzoxazocine27827-69-6BRN 49153402H-1,5-Benzoxazocine, 3,4-dihydro-8,10-dichloro-3-hydroxy-6-methyl-2H-1,5-BENZOXAZOCIN-3-OL, 3,4-DIHYDRO-8,10-DICHLORO-6-METHYL-DTXSID1013842028,10-Dichloro-3,4-dihydro-6-methyl-2H-1,5-benzoxazocin-3-ol2H-1,5-Benzoxazocin-3-ol, 8,10-dichloro-3,4-dihydro-6-methyl-
Database identifiers
- CAS
27827-69-6- PubChem CID
- 34034
- DTXSID
DTXSID101384202- Nikkaji
- J41.904D
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- Boiling point
- 396.1 · 396.1±42.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- 13.62 · 13.62±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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