Home Boronic acids 3-(Methylthio)-5-(trifluoromethyl)phenylboronic acid

3-(Methylthio)-5-(trifluoromethyl)phenylboronic acid

CAS No.:
957120-83-1
Catalog Number:
AG00H80U
Molecular Formula:
C8H8BF3O2S
Molecular Weight:
236.0191
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
98%
In Stock USA
United States
$94
- +
250mg
98%
In Stock USA
United States
$188
- +
1g
98%
In Stock USA
United States
$438
- +
Product Description
Catalog Number:
AG00H80U
Chemical Name:
3-(Methylthio)-5-(trifluoromethyl)phenylboronic acid
CAS Number:
957120-83-1
Molecular Formula:
C8H8BF3O2S
Molecular Weight:
236.0191
MDL Number:
MFCD09800876
IUPAC Name:
[3-methylsulfanyl-5-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C8H8BF3O2S/c1-15-7-3-5(8(10,11)12)2-6(4-7)9(13)14/h2-4,13-14H,1H3
InChI Key:
XIGZIOYWOLFBMQ-UHFFFAOYSA-N
SMILES:
CSc1cc(cc(c1)C(F)(F)F)B(O)O
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.029g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
236.015g/mol
Monoisotopic Mass:
236.029g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties