1-Bromo-3-(4-nitrophenoxy)benzene
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Basic information
- CAS
2303-22-2- Standard SMILES
O=[N+]([O-])c1ccc(Oc2cccc(Br)c2)cc1- InChIKey
BUPYXTMYYSIBKM-UHFFFAOYSA-N- Molecular formula
- C12H8BrNO3
- Average molar mass
- 294.1 g/mol
- Monoisotopic mass
- 292.96876
Names & identifiers
- Preferred name
- 1-Bromo-3-(4-nitrophenoxy)benzene
- IUPAC
- 1-bromo-3-(4-nitrophenoxy)benzene
- English name
- BUPYXTMYYSIBKM-UHFFFAOYSA-N
- Molecular formula
- C12H8BrNO3
- Molecular weight
- 294.1
Names & synonyms
2303-22-21-bromo-3-(4-nitrophenoxy)benzeneRefChem:2284631-(3-bromophenoxy)-4-nitrobenzeneBenzene, 1-bromo-3-(4-nitrophenoxy)-CHEMBL4214094SCHEMBL29719954DTXSID901300751MFCD05991358AKOS008922713DB-390870H69966
Show more names
BUPYXTMYYSIBKM-UHFFFAOYSA-N
Z31208695
Database identifiers
- CAS
2303-22-2- PubChem CID
- 971758
- DTXSID
DTXSID901300751- ChEMBL
CHEMBL4214094
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Boiling point
- 366.6 · 366.6±22.0 °C(Predicted)
- Density
- 1.563 · 1.563±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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