Ethyl 2-(2-ethynyl-4-fluoro-5-nitrophenyl)acetic acid
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Basic information
- Standard SMILES
C#Cc1cc(F)c([N+](=O)[O-])cc1C(CC)C(=O)O- InChIKey
HBBXYKCYRIWESV-UHFFFAOYSA-N- Molecular formula
- C12H10FNO4
- Average molar mass
- 251.21 g/mol
- Monoisotopic mass
- 251.05938596
Names & identifiers
- Preferred name
- Ethyl 2-(2-ethynyl-4-fluoro-5-nitrophenyl)acetic acid
- IUPAC
- 2-(2-ethynyl-4-fluoro-5-nitrophenyl)butanoic acid
Names & synonyms
SCHEMBL4279371HBBXYKCYRIWESV-UHFFFAOYSA-Nethyl 2-(2-ethynyl-4-fluoro-5-nitrophenyl)acetic acid
Database identifiers
- PubChem CID
- 86620161
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 383
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Related reactions
1 records
Compound notes
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