Basic information
- CAS
313552-63-5- Standard SMILES
CCCOc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1- InChIKey
YXVNRYHGBLNBFE-UHFFFAOYSA-N- Molecular formula
- C16H15NO5
- Average molar mass
- 301.29 g/mol
- Monoisotopic mass
- 301.09502258
Names & identifiers
- Preferred name
- 4-Propoxyphenyl 3-nitrobenzoate
- IUPAC
- (4-propoxyphenyl) 3-nitrobenzoate
Names & synonyms
4-propoxyphenyl 3-nitrobenzoateOprea1_306288DTXSID001281532AKOS001582795313552-63-5Phenol, 4-propoxy-, 1-(3-nitrobenzoate)EU-0000055SR-01000388770SR-01000388770-1
Database identifiers
- CAS
313552-63-5- PubChem CID
- 3958684
- DTXSID
DTXSID001281532
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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