Completing data — usually done within a minute
Basic information
- CAS
77207-00-2- Standard SMILES
CCOC(=O)C(C)Oc1cc(F)ccc1[N+](=O)[O-]- InChIKey
VFPRKIHTJUWOIU-UHFFFAOYSA-N- Molecular formula
- C11H12FNO5
- Average molar mass
- 257.21 g/mol
- Monoisotopic mass
- 257.0699507
Names & identifiers
- Preferred name
- Ethyl 2-(5-fluoro-2-nitrophenoxy)propanoate
- IUPAC
- ethyl 2-(5-fluoro-2-nitrophenoxy)propanoate
Names & synonyms
77207-00-2Ethyl 2-(5-fluoro-2-nitrophenoxy)propanoatePropanoic acid, 2-(5-fluoro-2-nitrophenoxy)-, ethyl esterSCHEMBL4825168DTXSID60599900VFPRKIHTJUWOIU-UHFFFAOYSA-NAKOS010993802ethyl 2-(2-nitro-5-fluorophenoxy)propanoateEthyl 2-(5-Fluoro-2-nitrophenoxy)propionate
Database identifiers
- CAS
77207-00-2- PubChem CID
- 19786322
- DTXSID
DTXSID60599900
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 306
Related reactions
6 records
Compound notes
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