Home Other Building Blocks 4-Chloro-3-trifluoromethyl-benzenethiol

4-Chloro-3-trifluoromethyl-benzenethiol

CAS No.:
18800-22-1
Catalog Number:
AG002GNL
Molecular Formula:
C7H4ClF3S
Molecular Weight:
212.6199
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$125
- +
250mg
95%
In Stock USA
United States
$250
- +
1g
95%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG002GNL
Chemical Name:
4-Chloro-3-trifluoromethyl-benzenethiol
CAS Number:
18800-22-1
Molecular Formula:
C7H4ClF3S
Molecular Weight:
212.6199
MDL Number:
MFCD00068898
IUPAC Name:
4-chloro-3-(trifluoromethyl)benzenethiol
InChI:
InChI=1S/C7H4ClF3S/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3,12H
InChI Key:
VSZQSTUDNPQHCA-UHFFFAOYSA-N
SMILES:
Sc1ccc(c(c1)C(F)(F)F)Cl
Properties
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.967g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.614g/mol
Monoisotopic Mass:
211.967g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties