Basic information
- Standard SMILES
COc1ccc(Oc2c(C)cc([N+](=O)[O-])cc2C)cc1Br- InChIKey
GDAHBRUNORUSSP-UHFFFAOYSA-N- Molecular formula
- C15H14BrNO4
- Average molar mass
- 352.18 g/mol
Names & identifiers
- Preferred name
- 4-(3-Bromo-4-methoxyphenoxy)-3,5-dimethylnitrobenzene
- IUPAC
- 2-(3-bromo-4-methoxyphenoxy)-1,3-dimethyl-5-nitrobenzene
Names & synonyms
SCHEMBL4963121GDAHBRUNORUSSP-UHFFFAOYSA-N4-(3-Bromo-4-methoxyphenoxy)-3,5-dimethyinitrobenzene4-(3-Bromo-4-methoxyphenoxy)-3,5-dimethylnitrobenzene
Database identifiers
- PubChem CID
- 22339728
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 350
Related reactions
9 records
Compound notes
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