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77714-78-4 | 1,2-Benzenediol, 4-[(1R)-2-amino-1-hydroxyethyl]-5-fluoro-
CAS No: 77714-78-4 Catalog No: AG005GJ1 MDL No:
Product Description
Catalog Number:
AG005GJ1
Chemical Name:
1,2-Benzenediol, 4-[(1R)-2-amino-1-hydroxyethyl]-5-fluoro-
CAS Number:
77714-78-4
Molecular Formula:
C8H10FNO3
Molecular Weight:
187.1683
IUPAC Name:
4-[(1R)-2-amino-1-hydroxyethyl]-5-fluorobenzene-1,2-diol
InChI:
InChI=1S/C8H10FNO3/c9-5-2-7(12)6(11)1-4(5)8(13)3-10/h1-2,8,11-13H,3,10H2/t8-/m0/s1
InChI Key:
SBUQBFTXTZSRMH-QMMMGPOBSA-N
SMILES:
NC[C@@H](c1cc(O)c(cc1F)O)O
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
187.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
187.17g/mol
Monoisotopic Mass:
187.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
Literature
| Title | Journal |
|---|---|
| Structural basis of the selectivity of the beta(2)-adrenergic receptor for fluorinated catecholamines. | Bioorganic & medicinal chemistry 20091201 |
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