Basic information
- CAS
117773-93-0- Standard SMILES
CNC[C@H](O)c1ccc(O)c(O)c1F- InChIKey
HGZKLMFEVVYGMO-ZETCQYMHSA-N- Molecular formula
- C9H12FNO3
- Average molar mass
- 201.19 g/mol
Names & identifiers
- Preferred name
- 3-Fluoro-4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
- IUPAC
- 3-fluoro-4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
- English name
- 1,2-Benzenediol, 3-fluoro-4-[1-hydroxy-2-(methylamino)ethyl]-, (R)- (9CI)
- Molecular formula
- C9H12FNO3
- Molecular weight
- 201.1948832
Names & synonyms
CHEMBL42370117773-93-01,2-Benzenediol, 3-fluoro-4-[1-hydroxy-2-(methylamino)ethyl]-, (R)- (9CI)3-FLUORO-4-[(1R)-1-HYDROXY-2-(METHYLAMINO)ETHYL]BENZENE-1,2-DIOLSCHEMBL29852847BDBM50087520AKOS027395794(R)3-Fluoro-4-(1-hydroxy-2-methylamino-ethyl)-benzene-1,2-diol
Database identifiers
- CAS
117773-93-0- ChEMBL
CHEMBL42370- Nikkaji
- J347.043A
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 181
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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