CAS 144025-03-6 | Boronic acid, B-(2,4-difluorophenyl)- | CAS Number 144025-03-6

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144025-03-6 | Boronic acid, B-(2,4-difluorophenyl)-

CAS No: 144025-03-6 Catalog No: AG001ISZ MDL No:MFCD01318998

Product Description

Catalog Number:

AG001ISZ

Chemical Name:

Boronic acid, B-(2,4-difluorophenyl)-

CAS Number:

144025-03-6

Molecular Formula:

C6H5BF2O2

Molecular Weight:

157.9105

MDL Number:

MFCD01318998

IUPAC Name:

(2,4-difluorophenyl)boronic acid

InChI:

InChI=1S/C6H5BF2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H

InChI Key:

QQLRSCZSKQTFGY-UHFFFAOYSA-N

SMILES:

Fc1ccc(c(c1)F)B(O)O

Properties

Complexity:

134

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

158.035g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

157.911g/mol

Monoisotopic Mass:

158.035g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
Bis[3,5-difluoro-2-(4-methyl-pyridin-2-yl)phenyl-κC,N](picolinato-κN,O)iridium(III) chloro-form monosolvate.	Acta crystallographica. Section E, Structure reports online 20110901
2,4-Difluoro-phenyl-boronic acid.	Acta crystallographica. Section E, Structure reports online 20090101
1-(2',4'-Difluoro-biphenyl-4-yl)ethanone.	Acta crystallographica. Section E, Structure reports online 20081001