Methyl 2-nitro-5-(phenoxymethyl)benzoate
Basic information
- CAS
88071-95-8- Standard SMILES
COC(=O)c1cc(COc2ccccc2)ccc1[N+](=O)[O-]- InChIKey
ZRBZQCITXLUBJC-UHFFFAOYSA-N- Molecular formula
- C15H13NO5
- Average molar mass
- 287.27 g/mol
- Monoisotopic mass
- 287.07937252
Names & identifiers
- Preferred name
- Methyl 2-nitro-5-(phenoxymethyl)benzoate
- IUPAC
- methyl 2-nitro-5-(phenoxymethyl)benzoate
Names & synonyms
Methyl 2-nitro-5-(phenoxymethyl)benzoate88071-95-8DTXSID30539434
Database identifiers
- CAS
88071-95-8- PubChem CID
- 13399992
- DTXSID
DTXSID30539434
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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