Home Boronic acids 2-Isopropylthio-5-trifluoromethylpyridine-3-boronic acid

2-Isopropylthio-5-trifluoromethylpyridine-3-boronic acid

CAS No.:
1256345-52-4
Catalog Number:
AG000O0D
Molecular Formula:
C9H11BF3NO2S
Molecular Weight:
265.0603
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$100
- +
5g
97%
In Stock USA
United States
$300
- +
10g
97%
In Stock USA
United States
$525
- +
25g
97%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG000O0D
Chemical Name:
2-Isopropylthio-5-trifluoromethylpyridine-3-boronic acid
CAS Number:
1256345-52-4
Molecular Formula:
C9H11BF3NO2S
Molecular Weight:
265.0603
MDL Number:
MFCD16660272
IUPAC Name:
[2-propan-2-ylsulfanyl-5-(trifluoromethyl)pyridin-3-yl]boronic acid
InChI:
InChI=1S/C9H11BF3NO2S/c1-5(2)17-8-7(10(15)16)3-6(4-14-8)9(11,12)13/h3-5,15-16H,1-2H3
InChI Key:
ZOSAPDINOGIVGV-UHFFFAOYSA-N
SMILES:
CC(Sc1ncc(cc1B(O)O)C(F)(F)F)C
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.056g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
265.057g/mol
Monoisotopic Mass:
265.056g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties