Completing data — usually done within a minute
Basic information
- CAS
31574-13-7- Standard SMILES
COc1ccc(COc2ccc([N+](=O)[O-])cc2)cc1- InChIKey
FQWRHMAYPLRNJE-UHFFFAOYSA-N- Molecular formula
- C14H13NO4
- Average molar mass
- 259.26 g/mol
- Monoisotopic mass
- 259.0844579
Names & identifiers
- Preferred name
- 1-Methoxy-4-[(4-nitrophenoxy)methyl]benzene
- IUPAC
- 1-methoxy-4-[(4-nitrophenoxy)methyl]benzene
Names & synonyms
31574-13-71-methoxy-4-[(4-nitrophenoxy)methyl]benzene1-Methoxy-4-((4-nitrophenoxy)methyl)benzeneMFCD27965632NSC171060SCHEMBL10651178SCHEMBL15475132DTXSID40305546FQWRHMAYPLRNJE-UHFFFAOYSA-NNSC-171060SY494234
Database identifiers
- CAS
31574-13-7- PubChem CID
- 298745
- DTXSID
DTXSID40305546- Nikkaji
- J896.009G
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 276
Related reactions
7 records
Compound notes
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