CAS 825644-26-6 | (4-Fluoro-2-formylphenyl);boronic acid | CAS Number 825644-26-6

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825644-26-6 | (4-Fluoro-2-formylphenyl);boronic acid

CAS No: 825644-26-6 Catalog No: AG008K98 MDL No:MFCD10697426

Product Description

Catalog Number:

AG008K98

Chemical Name:

(4-Fluoro-2-formylphenyl);boronic acid

CAS Number:

825644-26-6

Molecular Formula:

C7H6BFO3

Molecular Weight:

167.9301

MDL Number:

MFCD10697426

IUPAC Name:

(4-fluoro-2-formylphenyl)boronic acid

InChI:

InChI=1S/C7H6BFO3/c9-6-1-2-7(8(11)12)5(3-6)4-10/h1-4,11-12H

InChI Key:

QWUBOCQWTPCPNE-UHFFFAOYSA-N

SMILES:

O=Cc1cc(F)ccc1B(O)O

Properties

Complexity:

165

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

168.039g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

167.93g/mol

Monoisotopic Mass:

168.039g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
5-Fluoro-1,3-dihydro-2,1-benzoxaborol-1-ol.	Acta crystallographica. Section E, Structure reports online 20110201
Simple chiral derivatization protocols for 1H NMR and 19F NMR spectroscopic analysis of the enantiopurity of chiral diols.	The Journal of organic chemistry 20090102