Home Other Building Blocks 2-(Trifluoromethyl)phenyl isothiocyanate

2-(Trifluoromethyl)phenyl isothiocyanate

CAS No.:
1743-86-8
Catalog Number:
AG001ZKP
Molecular Formula:
C8H4F3NS
Molecular Weight:
203.1843
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$48
- +
5g
98%
In Stock USA
United States
$76
- +
Product Description
Catalog Number:
AG001ZKP
Chemical Name:
2-(Trifluoromethyl)phenyl isothiocyanate
CAS Number:
1743-86-8
Molecular Formula:
C8H4F3NS
Molecular Weight:
203.1843
MDL Number:
MFCD00039644
IUPAC Name:
1-isothiocyanato-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H4F3NS/c9-8(10,11)6-3-1-2-4-7(6)12-5-13/h1-4H
InChI Key:
FCEKLQPJGXIQRY-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccccc1C(F)(F)F
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.002g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.182g/mol
Monoisotopic Mass:
203.002g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties