Home Other Building Blocks 2,6-Difluorophenyl isothiocyanate

2,6-Difluorophenyl isothiocyanate

CAS No.:
207974-17-2
Catalog Number:
AG002JEE
Molecular Formula:
C7H3F2NS
Molecular Weight:
171.1672
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$44
- +
5g
97%
In Stock USA
United States
$169
- +
25g
97%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG002JEE
Chemical Name:
2,6-Difluorophenyl isothiocyanate
CAS Number:
207974-17-2
Molecular Formula:
C7H3F2NS
Molecular Weight:
171.1672
MDL Number:
MFCD00041047
IUPAC Name:
1,3-difluoro-2-isothiocyanatobenzene
InChI:
InChI=1S/C7H3F2NS/c8-5-2-1-3-6(9)7(5)10-4-11/h1-3H
InChI Key:
DBSXNGIBAKYMSS-UHFFFAOYSA-N
SMILES:
S=C=Nc1c(F)cccc1F
Properties
Complexity:
169  
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  
Properties