3-Benzyl-6-chloro-8-methyl-3,4-dihydro-2h-1,3-benzoxazine
Basic information
- CAS
6638-12-6- Standard SMILES
Cc1cc(Cl)cc2c1OCN(Cc1ccccc1)C2- InChIKey
KOGSMVTZKFIGLA-UHFFFAOYSA-N- Molecular formula
- C16H16ClNO
- Average molar mass
- 273.75 g/mol
- Monoisotopic mass
- 273.0920418
Names & identifiers
- Preferred name
- 3-Benzyl-6-chloro-8-methyl-3,4-dihydro-2h-1,3-benzoxazine
- IUPAC
- 3-benzyl-6-chloro-8-methyl-2,4-dihydro-1,3-benzoxazine
Names & synonyms
6638-12-63-benzyl-6-chloro-8-methyl-3,4-dihydro-2h-1,3-benzoxazineNSC47910DTXSID80286820NSC-47910
Database identifiers
- CAS
6638-12-6- PubChem CID
- 240932
- DTXSID
DTXSID80286820
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…