Basic information
- CAS
6945-83-1- Standard SMILES
CC(C)(C)c1ccc(Oc2ccc([N+](=O)[O-])cc2)c(Br)c1- InChIKey
KKGIYAIKGWQFNU-UHFFFAOYSA-N- Molecular formula
- C16H16BrNO3
- Average molar mass
- 350.21 g/mol
- Monoisotopic mass
- 349.03136
Names & identifiers
- Preferred name
- 2-Bromo-4-tert-butyl-1-(4-nitrophenoxy)benzene
- IUPAC
- 2-bromo-4-tert-butyl-1-(4-nitrophenoxy)benzene
Names & synonyms
2-bromo-4-tert-butyl-1-(4-nitrophenoxy)benzene6945-83-1DTXSID30287807RefChem:257266DTXCID70238954NSC52580NSC-52580
Database identifiers
- CAS
6945-83-1- PubChem CID
- 243228
- DTXSID
DTXSID30287807
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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