Basic information
- CAS
56240-75-6- Standard SMILES
CCCCOc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1- InChIKey
UYQYNEQXRXDXCC-UHFFFAOYSA-N- Molecular formula
- C17H17NO5
- Average molar mass
- 315.32 g/mol
- Monoisotopic mass
- 315.11067264
Names & identifiers
- Preferred name
- 4-Nitrophenyl 4-butoxybenzoate
- IUPAC
- (4-nitrophenyl) 4-butoxybenzoate
Names & synonyms
4-nitrophenyl 4-butoxybenzoate56240-75-6DTXSID60398172AKOS0014832114-Butoxy-benzoic acid 4-nitro-phenyl esterST50988038SR-01000389106SR-01000389106-1
Database identifiers
- CAS
56240-75-6- PubChem CID
- 3948702
- DTXSID
DTXSID60398172- Nikkaji
- J2.179.604B
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 379
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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