Home Boronic acids 2-Isopropoxy-3-(trifluoromethyl)pyridine-5-boronic acid pinacol ester

2-Isopropoxy-3-(trifluoromethyl)pyridine-5-boronic acid pinacol ester

CAS No.:
1334607-81-6
Catalog Number:
AG00AALA
Molecular Formula:
C15H21BF3NO3
Molecular Weight:
331.1383
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$438
- +
5g
95%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG00AALA
Chemical Name:
2-Isopropoxy-3-(trifluoromethyl)pyridine-5-boronic acid pinacol ester
CAS Number:
1334607-81-6
Molecular Formula:
C15H21BF3NO3
Molecular Weight:
331.1383
MDL Number:
MFCD16996732
IUPAC Name:
2-propan-2-yloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine
InChI:
InChI=1S/C15H21BF3NO3/c1-9(2)21-12-11(15(17,18)19)7-10(8-20-12)16-22-13(3,4)14(5,6)23-16/h7-9H,1-6H3
InChI Key:
ILSFYCBFQZKMJN-UHFFFAOYSA-N
SMILES:
CC(Oc1ncc(cc1C(F)(F)F)B1OC(C(O1)(C)C)(C)C)C
Properties
Complexity:
413  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.157g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.142g/mol
Monoisotopic Mass:
331.157g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties