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Home Other Building Blocks 2,4-Difluorophenyl isothiocyanate

2,4-Difluorophenyl isothiocyanate

CAS No.:
141106-52-7
Catalog Number:
AG001FXG
Molecular Formula:
C7H3F2NS
Molecular Weight:
171.1672
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$19
- +
5g
95%
In Stock USA
United States
$63
- +
25g
95%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG001FXG
Chemical Name:
2,4-Difluorophenyl isothiocyanate
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:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.995g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.165g/mol
Monoisotopic Mass:
170.995g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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
Properties