CAS 141106-52-7 | Benzene, 2,4-difluoro-1-isothiocyanato- | CAS Number 141106-52-7

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141106-52-7 | Benzene, 2,4-difluoro-1-isothiocyanato-

CAS No: 141106-52-7 Catalog No: AG001FXG MDL No:MFCD00041044

Product Description

Catalog Number:

AG001FXG

Chemical Name:

Benzene, 2,4-difluoro-1-isothiocyanato-

CAS Number:

141106-52-7

Molecular Formula:

C7H3F2NS

Molecular Weight:

171.1672

MDL Number:

MFCD00041044

IUPAC Name:

2,4-difluoro-1-isothiocyanatobenzene

InChI:

InChI=1S/C7H3F2NS/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H

InChI Key:

ABGGPKIFVAIRGU-UHFFFAOYSA-N

SMILES:

S=C=Nc1ccc(cc1F)F

Properties

Complexity:

179

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

170.995g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

171.165g/mol

Monoisotopic Mass:

170.995g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5

Literature

Title	Journal
The enantioseparation of amino acids on a teicoplanin chiral stationary phase using non-aqueous mobile phases after pre-column derivatization with sulfur-containing reagents: the considerations of mobile phase composition and analyte structure variation on resolution enhancement.	Biomedical chromatography : BMC 20060801
The factors that influence the elution order for the resolution of amino acids on vancomycin phase using the polar-organic mobile phases after their pre-column derivatization with electrophilic reagents.	Biomedical chromatography : BMC 20050701