Basic information
- CAS
302927-92-0- Standard SMILES
CCc1ccc(OCC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1- InChIKey
RWFUKWUGXDQCGQ-UHFFFAOYSA-N- Molecular formula
- C16H15NO5
- Average molar mass
- 301.29 g/mol
- Monoisotopic mass
- 301.09502258
Overview
2-(4-ethylphenoxy)acetic acid (4-nitrophenyl) ester is a monocarboxylic acid.
Names & identifiers
- Preferred name
- 4-Nitrophenyl 2-(4-ethylphenoxy)acetate
- IUPAC
- (4-nitrophenyl) 2-(4-ethylphenoxy)acetate
Names & synonyms
4-nitrophenyl 2-(4-ethylphenoxy)acetate302927-92-0(4-nitrophenyl) 2-(4-ethylphenoxy)acetate2-(4-ethylphenoxy)acetic acid (4-nitrophenyl) esterOprea1_404811MLS001209913(4-Ethyl-phenoxy)-acetic acid 4-nitro-phenyl esterCHEMBL1511853CHEBI:108513DTXSID001319907HMS2830A074-Nitrophenyl (4-ethylphenoxy)acetate
Show more names
AKOS000520444SMR000513649ST50225028AB00684028-01SR-01000368824SR-01000368824-1Q27187410F0055-0015
Database identifiers
- CAS
302927-92-0- PubChem CID
- 830993
- DTXSID
DTXSID001319907- ChEMBL
CHEMBL1511853- ChEBI
CHEBI:108513
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
- 365
Experimental & physicochemical properties
Solubility29.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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