(R)-1-(3-Fluorophenyl)ethanol - CAS 126534-33-6

Catalog:	BB006600
Product Name:	(R)-1-(3-Fluorophenyl)ethanol
CAS:	126534-33-6
Synonyms:	(1R)-1-(3-fluorophenyl)ethanol; (1R)-1-(3-fluorophenyl)ethanol

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Computed Properties

IUPAC Name:	(1R)-1-(3-fluorophenyl)ethanol
Description:	(R)-1-(3-Fluorophenyl)ethanol (CAS# 126534-33-6) is a building block used in pharmaceutical synthesis as in the preparation and SAR of tolylamines with 5-HT6 receptor antagonist activity.
Molecular Weight:	140.15
Molecular Formula:	C8H9FO
Canonical SMILES:	CC(C1=CC(=CC=C1)F)O
InChI:	InChI=1S/C8H9FO/c1-6(10)7-3-2-4-8(9)5-7/h2-6,10H,1H3/t6-/m1/s1
InChI Key:	YESOPGLEIJQAEF-ZCFIWIBFSA-N
Boiling Point:	196.2 °C at 760 mmHg
Purity:	≥ 98 %, ≥ 95 % e.e.
Density:	1.123 g/cm³
LogP:	1.87900

Publication Number	Title	Priority Date
US-2021171500-A1	Triazole carbamate pyridyl sulfonamides as lpa receptor antagonists and uses thereof	20191115
WO-2021097039-A1	Triazole carbamate pyridyl sulfonamides as lpa receptor antagonists and uses thereof	20191115
KR-102103768-B1	Optically active 2-amino-4-alkoxypyrimidnes derivatives as 5-HT2C agonists	20180404
KR-20190115976-A	Optically active 2-amino-4-alkoxypyrimidnes derivatives as 5-HT2C agonists	20180404
CN-106032347-A	Method for synthesizing chiral alcohol	20150309

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	105
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	140.063743068
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	140.063743068
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9