Home Other Building Blocks 2-(Trifluoromethoxy)phenyl isothiocyanate

2-(Trifluoromethoxy)phenyl isothiocyanate

CAS No.:
175205-33-1
Catalog Number:
AG0020O6
Molecular Formula:
C8H4F3NOS
Molecular Weight:
219.1837
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$25
- +
5g
95%
In Stock USA
United States
$68
- +
25g
95%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG0020O6
Chemical Name:
2-(Trifluoromethoxy)phenyl isothiocyanate
CAS Number:
175205-33-1
Molecular Formula:
C8H4F3NOS
Molecular Weight:
219.1837
MDL Number:
MFCD00220860
IUPAC Name:
1-isothiocyanato-2-(trifluoromethoxy)benzene
InChI:
InChI=1S/C8H4F3NOS/c9-8(10,11)13-7-4-2-1-3-6(7)12-5-14/h1-4H
InChI Key:
ZFEJYPIWOGCCFS-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccccc1OC(F)(F)F
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.997g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.181g/mol
Monoisotopic Mass:
218.997g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Properties