Basic information
- Standard SMILES
COc1ccc(CN2C(=O)OC(CN=[N+]=[N-])(C(F)(F)F)c3cc(Br)ccc32)cc1- InChIKey
UCNBBJIDCLCNPH-UHFFFAOYSA-N- Molecular formula
- C18H14BrF3N4O3
- Average molar mass
- 471.2 g/mol
Names & identifiers
- Preferred name
- 4-(azidomethyl)-6-bromo-1-(4-methoxybenzyl)-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one
- IUPAC
- 4-(azidomethyl)-6-bromo-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-3,1-benzoxazin-2-one
Names & synonyms
4-(azidomethyl)-6-bromo-1-(4-methoxybenzyl)-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one
Database identifiers
- PubChem CID
- 44549802
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 653
Related reactions
4 records
Compound notes
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