Tyrosine, 5-bromo-3-fluoro-
Basic information
- CAS
369-95-9- Standard SMILES
NC(Cc1cc(F)c(O)c(Br)c1)C(=O)O- InChIKey
DUZDIGZRRMKJFE-UHFFFAOYSA-N- Molecular formula
- C9H9BrFNO3
- Average molar mass
- 278.07 g/mol
- Monoisotopic mass
- 276.97498
Names & identifiers
- Preferred name
- Tyrosine, 5-bromo-3-fluoro-
- IUPAC
- 2-amino-3-(3-bromo-5-fluoro-4-hydroxyphenyl)propanoic acid
- English name
- DOXYCYCLINE SSA
- Molecular formula
- C9H9BrFNO3
- Molecular weight
- 278.07
Names & synonyms
369-95-9Tyrosine, 5-bromo-3-fluoro-RefChem:11006153-Fluoro-5-bromotyrosine2-amino-3-(3-bromo-5-fluoro-4-hydroxyphenyl)propanoic acid3-Fluor-5-bromtyrosinJodfluortyrosin [German]3-Fluor-5-bromtyrosin [German]3-bromo-5-fluorotyrosineBRN 31438454-14-00-02365 (Beilstein Handbook Reference)DTXSID40958096
Show more names
Doxycycl Ssa3-bromo-5-fluoro-tyrosineTyrosine,3-bromo-5-fluoro-α-Amino-5-bromo-3-fluoro-4-hydroxybenzenepropionic acid
DB-260683
Database identifiers
- CAS
369-95-9- PubChem CID
- 101663
- DTXSID
DTXSID40958096- Nikkaji
- J96.565K
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Melting point
- 226 · 226-227 °C
- Boiling point
- 378 · 378.0±42.0 °C(Predicted)
- Density
- 1.779 · 1.779±0.06 g/cm3(Predicted)
- pka
- 2.17 · 2.17±0.30(Predicted)
Chemistry & industry
Applications
UsesDoxycycline ssa (cas# 369-95-9) is a compound useful in organic synthesis.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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