Basic information
- CAS
86820-21-5- Standard SMILES
NCC(O)c1cc(O)c(O)cc1F- InChIKey
SBUQBFTXTZSRMH-UHFFFAOYSA-N- Molecular formula
- C8H10FNO3
- Average molar mass
- 187.17 g/mol
- Monoisotopic mass
- 187.0644714
Overview
4-(2-amino-1-hydroxyethyl)-5-fluorobenzene-1,2-diol is a member of catechols.
Names & identifiers
- Preferred name
- 4-(2-Amino-1-hydroxyethyl)-5-fluoro-1,2-benzenediol
- IUPAC
- 4-(2-amino-1-hydroxyethyl)-5-fluorobenzene-1,2-diol
- English name
- 6-fluoronorepinephrine
- Molecular formula
- C8H10FNO3
- Molecular weight
- 187.17
Names & synonyms
6-Fluoronorepinephrine86820-21-54-(2-Amino-1-hydroxyethyl)-5-fluoro-1,2-benzenediolDTXSID3010071331,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-5-fluoro-RefChem:912064DTXCID9010081275-Fluoronorepinephrine4-(2-amino-1-hydroxyethyl)-5-fluorobenzene-1,2-diol6-fluoro-noradrenalineCHEMBL2812326-fluoro-NE
Show more names
(+/-)-6-FluoronorepinephrineLopac0_000205GTPL510SCHEMBL16918204-(2-Amino-1-hydroxy-ethyl)-5-fluoro-benzene-1,2-diolCHEBI:125398BDBM50019061CCG-204300
Database identifiers
- CAS
86820-21-5- PubChem CID
- 1862
- DTXSID
DTXSID301007133- ChEMBL
CHEMBL281232- ChEBI
CHEBI:125398- Nikkaji
- J374.343H
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Boiling point
- 445.1 · 445.1±40.0 °C(Predicted)
- Density
- 1.494 · 1.494±0.06 g/cm3(Predicted)
- pka
- 8.87 · 8.87±0.36(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: 4-(2-amino-1-hydroxyethyl)-5-fluorobenzene-1,2-diol is a member of catechols.
Related reactions
1 records
Compound notes
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