Acetic acid, phenoxy-, 4-nitrophenyl ester
Basic information
- CAS
62171-64-6- Standard SMILES
O=C(COc1ccccc1)Oc1ccc([N+](=O)[O-])cc1- InChIKey
QNSALTLCYPOMRB-UHFFFAOYSA-N- Molecular formula
- C14H11NO5
- Average molar mass
- 273.24 g/mol
- Monoisotopic mass
- 273.06372245
Names & identifiers
- Preferred name
- Acetic acid, phenoxy-, 4-nitrophenyl ester
- IUPAC
- (4-nitrophenyl) 2-phenoxyacetate
Names & synonyms
Acetic acid, phenoxy-, 4-nitrophenyl ester62171-64-6DTXSID30428955RefChem:316679DTXCID603797894-Nitrophenyl phenoxyacetateSCHEMBL27542011
Database identifiers
- CAS
62171-64-6- PubChem CID
- 7900949
- DTXSID
DTXSID30428955- Nikkaji
- J832.884F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 327
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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