Basic information
- CAS
1258545-24-2- Standard SMILES
O=[N+]([O-])c1ccc(Oc2ccccc2)cc1Br- InChIKey
LEFQAKXPEBSWQZ-UHFFFAOYSA-N- Molecular formula
- C12H8BrNO3
- Average molar mass
- 294.1 g/mol
- Monoisotopic mass
- 292.96876
Names & identifiers
- Preferred name
- 2-Bromo-1-nitro-4-phenoxybenzene
- IUPAC
- 2-bromo-1-nitro-4-phenoxybenzene
- English name
- 2-Bromo-1-nitro-4-phenoxybenzene
- Molecular formula
- C12H8BrNO3
- Molecular weight
- 294.1
Names & synonyms
2-Bromo-1-nitro-4-phenoxybenzene1258545-24-2SCHEMBL2138411DTXSID50732526LEFQAKXPEBSWQZ-UHFFFAOYSA-NBenzene, 2-bromo-1-nitro-4-phenoxy-
Database identifiers
- CAS
1258545-24-2- PubChem CID
- 59627079
- DTXSID
DTXSID50732526
Properties
Computed structural properties
- XLogP
- 4
- 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
- 263
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
1 records
Compound notes
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