3-Benzyl-6,8-dibromo-3,4-dihydro-2h-1,3-benzoxazine
Basic information
- CAS
35183-53-0- Standard SMILES
Brc1cc(Br)c2c(c1)CN(Cc1ccccc1)CO2- InChIKey
KMGRELRSRWDMOS-UHFFFAOYSA-N- Molecular formula
- C15H13Br2NO
- Average molar mass
- 383.08 g/mol
- Monoisotopic mass
- 380.93639
Names & identifiers
- Preferred name
- 3-Benzyl-6,8-dibromo-3,4-dihydro-2h-1,3-benzoxazine
- IUPAC
- 3-benzyl-6,8-dibromo-2,4-dihydro-1,3-benzoxazine
Names & synonyms
35183-53-03-benzyl-6,8-dibromo-3,4-dihydro-2h-1,3-benzoxazineNSC85492DTXSID00292781NSC-85492
Database identifiers
- CAS
35183-53-0- PubChem CID
- 257464
- DTXSID
DTXSID00292781
Properties
Computed structural properties
- XLogP
- 4.5
- 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
- 296
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Compound notes
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