Basic information
- Standard SMILES
COc1c([N+](=O)[O-])cc(Br)cc1C(C)(C)C- InChIKey
UMZIOALQUPMKRE-UHFFFAOYSA-N- Molecular formula
- C11H14BrNO3
- Average molar mass
- 288.14 g/mol
Names & identifiers
- Preferred name
- 5-Bromo-1-tert-butyl-2-methoxy-3-nitrobenzene
- IUPAC
- 5-bromo-1-tert-butyl-2-methoxy-3-nitrobenzene
Names & synonyms
5-bromo-1-tert-butyl-2-methoxy-3-nitrobenzene474554-50-2SCHEMBL1542233UMZIOALQUPMKRE-UHFFFAOYSA-NDB-1682435-Bromo-1-(tert-butyl)-2-methoxy-3-nitrobenzene4-Bromo-2-(tert-butyl)-6-nitrophenyl methyl ether
Database identifiers
- PubChem CID
- 22930147
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 259
Related reactions
5 records
Compound notes
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