3-Chloro-4-(trifluoromethoxy)benzyl Alcohol - CAS 56456-48-5

Catalog:	BB029368
Product Name:	3-Chloro-4-(trifluoromethoxy)benzyl Alcohol
CAS:	56456-48-5
Synonyms:	[3-chloro-4-(trifluoromethoxy)phenyl]methanol; [3-chloro-4-(trifluoromethoxy)phenyl]methanol

Technical Data

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Computed Properties

IUPAC Name:	[3-chloro-4-(trifluoromethoxy)phenyl]methanol
Description:	3-Chloro-4-(trifluoromethoxy)benzyl Alcohol (CAS# 56456-48-5) is a useful research chemical.
Molecular Weight:	226.58
Molecular Formula:	C8H6ClF3O2
Canonical SMILES:	C1=CC(=C(C=C1CO)Cl)OC(F)(F)F
InChI:	InChI=1S/C8H6ClF3O2/c9-6-3-5(4-13)1-2-7(6)14-8(10,11)12/h1-3,13H,4H2
InChI Key:	KPYSDIQXFHKDPU-UHFFFAOYSA-N
Boiling Point:	236.4 °C at 760 mmHg
Density:	1.456 g/cm³
MDL:	MFCD01631559
LogP:	2.73090

Publication Number	Title	Priority Date
AU-2015238541-B2	Condensed [1,4]diazepine compounds as autotaxin (ATX) and lysophosphatidic acid (LPA) production inhibitors	20140326
EA-032357-B1	CONDENSED [1,4] DIAZEPIN COMPOUNDS AS AUTOTAXIN (ATX) PRODUCT INHIBITORS AND LIZOPHOSPHATIDYLIC ACID (LPA) INHIBITORS	20140326
EP-3122751-B1	Condensed [1,4]diazepine compounds as autotaxin (atx) and lysophosphatidic acid (lpa) production inhibitors	20140326
US-10669285-B2	Condensed [1,4] diazepine compounds as autotaxin (ATX) and lysophosphatidic acid (LPA) production inhibitors	20140326
US-2017008913-A1	Condensed [1,4] diazepine compounds as autotaxin (atx) and lysophosphatidic acid (lpa) production inhibitors	20140326

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Complexity:	186
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	226.0008416
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	226.0008416
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7