Basic information
- CAS
84604-85-3- Standard SMILES
O=[N+]([O-])c1ccc(Oc2cc(Br)ccc2O)cc1- InChIKey
YMBWRALKQKZRIV-UHFFFAOYSA-N- Molecular formula
- C12H8BrNO4
- Average molar mass
- 310.1 g/mol
- Monoisotopic mass
- 308.96367
Names & identifiers
- Preferred name
- 4-Bromo-2-(4-nitrophenoxy)phenol
- IUPAC
- 4-bromo-2-(4-nitrophenoxy)phenol
- English name
- 4-bromo-2-(4-nitrophenoxy)phenol
- Molecular formula
- C12H8BrNO4
- Molecular weight
- 310.10022
Names & synonyms
4-Bromo-2-(4-nitrophenoxy)phenol84604-85-3EINECS 283-369-2DTXSID70233601RefChem:98048DTXCID60156092283-369-2NC5TWZ5Q9WSCHEMBL27515978YMBWRALKQKZRIV-UHFFFAOYSA-NPhenol, 4-bromo-2-(4-nitrophenoxy)-NS00038579
Database identifiers
- CAS
84604-85-3- PubChem CID
- 3020004
- DTXSID
DTXSID70233601- UNII
- NC5TWZ5Q9W
- EC Number
- 283-369-2
- Nikkaji
- J333.523B
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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