CAS 459-56-3 | (4-Fluorophenyl)methanol | CAS Number 459-56-3

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459-56-3 | (4-Fluorophenyl)methanol

CAS No: 459-56-3 Catalog No: AG003LF7 MDL No:MFCD00004651

Product Description

Catalog Number:

AG003LF7

Chemical Name:

(4-Fluorophenyl)methanol

CAS Number:

459-56-3

Molecular Formula:

C7H7FO

Molecular Weight:

126.1283

MDL Number:

MFCD00004651

IUPAC Name:

(4-fluorophenyl)methanol

InChI:

InChI=1S/C7H7FO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2

InChI Key:

GEZMEIHVFSWOCA-UHFFFAOYSA-N

SMILES:

OCc1ccc(cc1)F

EC Number:

207-292-0

NSC Number:

63347

Properties

Complexity:

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

126.048g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

126.13g/mol

Monoisotopic Mass:

126.048g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

Title	Journal
Three-component reaction discovery enabled by mass spectrometry of self-assembled monolayers.	Nature chemistry 20120101
Microwave and UV excitation spectra of 4-fluorobenzyl alcohol at high resolution. S0 and S1 structures and tunneling motions along the low frequency -CH2OH torsional coordinate in both electronic states.	The journal of physical chemistry. A 20111020
Synthesis and application of a 2-[(4-fluorophenyl)-sulfonyl]ethoxy carbonyl(Fsec) protected glycosyl donor in carbohydrate chemistry.	Molecules (Basel, Switzerland) 20100819
On the assessment of some new meta-hybrid and generalized gradient approximation functionals for calculations of anharmonic vibrational frequency shifts in hydrogen-bonded dimers.	The journal of physical chemistry. A 20100401
An NMR study of the metabolic fate of 2-, 3- and 4-fluorobenzyl alcohols in the rat: detection of N-acetylcysteinyl conjugates as minor metabolites in urine.	Journal of pharmaceutical and biomedical analysis 20030424