Basic information
- Standard SMILES
COC(=O)[C@@H](N)Cc1cc(F)c(O)c(F)c1.Cl- InChIKey
VFXSSDAAMTZZNO-QRPNPIFTSA-N- Molecular formula
- C10H12ClF2NO3
- Average molar mass
- 267.66 g/mol
- Monoisotopic mass
- 267.0473773
Names & identifiers
- Preferred name
- Racemic 3,5-difluorotyrosine methyl ester hydrochloride
- IUPAC
- methyl (2S)-2-amino-3-(3,5-difluoro-4-hydroxyphenyl)propanoate;hydrochloride
Names & synonyms
SCHEMBL5112267VFXSSDAAMTZZNO-QRPNPIFTSA-NRacemic 3,5-difluorotyrosine methyl ester hydrochloride
Database identifiers
- PubChem CID
- 69315745
Properties
Computed structural properties
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 240
Related reactions
4 records
Compound notes
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