Methyl 3-nitro-4-(phenoxymethyl)benzoate
Basic information
- CAS
88071-93-6- Standard SMILES
COC(=O)c1ccc(COc2ccccc2)c([N+](=O)[O-])c1- InChIKey
BUAOQAVDTIALBG-UHFFFAOYSA-N- Molecular formula
- C15H13NO5
- Average molar mass
- 287.27 g/mol
- Monoisotopic mass
- 287.07937252
Names & identifiers
- Preferred name
- Methyl 3-nitro-4-(phenoxymethyl)benzoate
- IUPAC
- methyl 3-nitro-4-(phenoxymethyl)benzoate
Names & synonyms
Methyl 3-nitro-4-(phenoxymethyl)benzoate88071-93-6DTXSID10539432
Database identifiers
- CAS
88071-93-6- PubChem CID
- 13399990
- DTXSID
DTXSID10539432
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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