2-Fluorophenylephrine
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Basic information
- CAS
109672-71-1- Standard SMILES
CNCC(O)c1cccc(O)c1F.O=C(O)C(=O)O- InChIKey
PODKISHDTCTPCL-UHFFFAOYSA-N- Molecular formula
- C11H14FNO6
- Average molar mass
- 275.23 g/mol
- Monoisotopic mass
- 275.08051533
Names & identifiers
- Preferred name
- 2-Fluorophenylephrine
- IUPAC
- 2-fluoro-3-[1-hydroxy-2-(methylamino)ethyl]phenol;oxalic acid
- English name
- 2-FPE
- Molecular formula
- C11H14FNO6
- Molecular weight
- 275.2303632
Names & synonyms
2-Fluorophenylephrine109672-71-12-FPERefChem:87182DTXSID00911288Oxalic acid--2-fluoro-3-[1-hydroxy-2-(methylamino)ethyl]phenol (1/1)Benzenemethanol, 2-fluoro-3-hydroxy-alpha-((methylamino)methyl)-, (+-)-, ethanedioate (1:1) (salt)
Database identifiers
- CAS
109672-71-1- PubChem CID
- 127900
- DTXSID
DTXSID00911288
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 228
Related reactions
0 records
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Compound notes
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