Basic information
- Standard SMILES
CCOC(=O)N(Cc1ccc(OC)cc1OC)c1c([N+](=O)[O-])cc(Br)cc1C(F)(F)F- InChIKey
COALNNPVNAXNFI-UHFFFAOYSA-N- Molecular formula
- C19H18BrF3N2O6
- Average molar mass
- 507.3 g/mol
- Monoisotopic mass
- 506.03003
Names & identifiers
- Preferred name
- Ethyl 4-bromo-2-nitro-6-(trifluoromethyl)phenyl(2,4-dimethoxybenzyl)carbamate
- IUPAC
- ethyl N-[4-bromo-2-nitro-6-(trifluoromethyl)phenyl]-N-[(2,4-dimethoxyphenyl)methyl]carbamate
Names & synonyms
ethyl 4-bromo-2-nitro-6-(trifluoromethyl)phenyl(2,4-dimethoxybenzyl)carbamateSCHEMBL6334890
Database identifiers
- PubChem CID
- 22327366
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 620
Related reactions
4 records
Compound notes
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