CAS 828-27-3 | 4-(Trifluoromethoxy)phenol | CAS Number 828-27-3

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828-27-3 | 4-(Trifluoromethoxy)phenol

CAS No: 828-27-3 Catalog No: AG0033U3 MDL No:MFCD00040988

Product Description

Catalog Number:

AG0033U3

Chemical Name:

4-(Trifluoromethoxy)phenol

CAS Number:

828-27-3

Molecular Formula:

C7H5F3O2

Molecular Weight:

178.1086

MDL Number:

MFCD00040988

IUPAC Name:

4-(trifluoromethoxy)phenol

InChI:

InChI=1S/C7H5F3O2/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4,11H

InChI Key:

WDRJNKMAZMEYOF-UHFFFAOYSA-N

SMILES:

FC(Oc1ccc(cc1)O)(F)F

EC Number:

212-583-0

Properties

Complexity:

138

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

178.024g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

178.11g/mol

Monoisotopic Mass:

178.024g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6

Literature

Title	Journal
Microbial detoxification of bifenthrin by a novel yeast and its potential for contaminated soils treatment.	PloS one 20120101
Expanding the diversity of allosteric bcr-abl inhibitors.	Journal of medicinal chemistry 20101014
Laccase catalyzed covalent coupling of fluorophenols increases lignocellulose surface hydrophobicity.	Bioresource technology 20100401