(S)-(-)-1-Chloro-3-(4-fluorophenoxy)-2-propanol - CAS 352530-45-1

Catalog:	BB022568
Product Name:	(S)-(-)-1-Chloro-3-(4-fluorophenoxy)-2-propanol
CAS:	352530-45-1
Synonyms:	(2S)-1-chloro-3-(4-fluorophenoxy)propan-2-ol

Technical Data

Patents

Computed Properties

IUPAC Name:	(2S)-1-chloro-3-(4-fluorophenoxy)propan-2-ol
Description:	(S)-(-)-1-Chloro-3-(4-fluorophenoxy)-2-propanol (CAS# 352530-45-1 ) is a useful research chemical.
Molecular Weight:	204.63
Molecular Formula:	C9H10ClFO2
Canonical SMILES:	C1=CC(=CC=C1OCC(CCl)O)F
InChI:	InChI=1S/C9H10ClFO2/c10-5-8(12)6-13-9-3-1-7(11)2-4-9/h1-4,8,12H,5-6H2/t8-/m1/s1
InChI Key:	OSIKOYZBGUHWAB-MRVPVSSYSA-N
Boiling Point:	283-284 °C (lit.)
Purity:	95 %
Density:	1.28 g/cm³
MDL:	MFCD03427039
LogP:	1.80420

Publication Number	Title	Priority Date
AU-2007284542-A1	Tricyclic compounds and its use as tyrosine kinase modulators	20060814
AU-2007284542-B2	Tricyclic compounds and its use as tyrosine kinase modulators	20060814
CA-2660899-A1	Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders	20060814
CA-2660899-C	Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders	20060814
EP-2066673-A2	Tricyclic compounds and its use as tyrosine kinase modulators	20060814

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Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	204.0353354
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	204.0353354
Rotatable Bond Count:	4
Topological Polar Surface Area:	29.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2