Home Other Building Blocks 4-(Trifluoromethylthio)phenylacetic acid

4-(Trifluoromethylthio)phenylacetic acid

CAS No.:
243977-23-3
Catalog Number:
AG00BBLN
Molecular Formula:
C9H7F3O2S
Molecular Weight:
236.2109
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$75
- +
5g
95%
In Stock USA
United States
$200
- +
25g
95%
In Stock USA
United States
$475
- +
Product Description
Catalog Number:
AG00BBLN
Chemical Name:
4-(Trifluoromethylthio)phenylacetic acid
CAS Number:
243977-23-3
Molecular Formula:
C9H7F3O2S
Molecular Weight:
236.2109
MDL Number:
MFCD00236351
IUPAC Name:
2-[4-(trifluoromethylsulfanyl)phenyl]acetic acid
InChI:
InChI=1S/C9H7F3O2S/c10-9(11,12)15-7-3-1-6(2-4-7)5-8(13)14/h1-4H,5H2,(H,13,14)
InChI Key:
BFDKCZMYQOSTJG-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cc1)SC(F)(F)F
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.012g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.208g/mol
Monoisotopic Mass:
236.012g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties