Home Halogens 2-Chloro-5-methylthiobenzotrifluoride

2-Chloro-5-methylthiobenzotrifluoride

CAS No.:
957066-04-5
Catalog Number:
AG003GZB
Molecular Formula:
C8H6ClF3S
Molecular Weight:
226.6464
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$300
- +
250mg
95%
In Stock USA
United States
$600
- +
1g
95%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG003GZB
Chemical Name:
2-Chloro-5-methylthiobenzotrifluoride
CAS Number:
957066-04-5
Molecular Formula:
C8H6ClF3S
Molecular Weight:
226.6464
MDL Number:
MFCD09878422
IUPAC Name:
1-chloro-4-methylsulfanyl-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H6ClF3S/c1-13-5-2-3-7(9)6(4-5)8(10,11)12/h2-4H,1H3
InChI Key:
VQFCKGHPKGUMLI-UHFFFAOYSA-N
SMILES:
CSc1ccc(c(c1)C(F)(F)F)Cl
Properties
Complexity:
171  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.983g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.641g/mol
Monoisotopic Mass:
225.983g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Properties