1-(3-Chlorophenyl)-2,2,2-trifluoroethanol - CAS 81577-11-9

Catalog:	BB036679
Product Name:	1-(3-Chlorophenyl)-2,2,2-trifluoroethanol
CAS:	81577-11-9
Synonyms:	1-(3-chlorophenyl)-2,2,2-trifluoroethanol; 1-(3-chlorophenyl)-2,2,2-trifluoroethanol

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(3-chlorophenyl)-2,2,2-trifluoroethanol
Description:	1-(3-Chlorophenyl)-2,2,2-trifluoroethanol (CAS# 81577-11-9) is a useful research chemical.
Molecular Weight:	210.58
Molecular Formula:	C8H6ClF3O
Canonical SMILES:	C1=CC(=CC(=C1)Cl)C(C(F)(F)F)O
InChI:	InChI=1S/C8H6ClF3O/c9-6-3-1-2-5(4-6)7(13)8(10,11)12/h1-4,7,13H
InChI Key:	IFUMGCOCVZUIRR-UHFFFAOYSA-N
LogP:	2.93570

Publication Number	Title	Priority Date
JP-2018002698-A	Method for producing alcohol containing trifluoromethyl group	20160628
JP-6763747-B2	Method for Producing Trifluoromethyl Group-Containing Alcohols	20160628
JP-2016204276-A	Method for producing alcohol containing trifluoromethyl group	20150417
JP-6521710-B2	Process for producing trifluoromethyl group-containing alcohols	20150417
BR-102015013221-A2	pesticide compositions and processes related thereto	20140609

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Complexity:	171
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.005927
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	210.005927
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8