Home Boronic acids [4-Chloro-5-(pyridin-3-ylmethoxy)-2-(trifluoromethyl)phenyl]boronic acid

[4-Chloro-5-(pyridin-3-ylmethoxy)-2-(trifluoromethyl)phenyl]boronic acid

CAS No.:
2096336-88-6
Catalog Number:
AG01EHL1
Molecular Formula:
C13H10BClF3NO3
Molecular Weight:
331.4826
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$150
- +
1g
97%
In Stock USA
United States
$350
- +
5g
97%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG01EHL1
Chemical Name:
[4-Chloro-5-(pyridin-3-ylmethoxy)-2-(trifluoromethyl)phenyl]boronic acid
CAS Number:
2096336-88-6
Molecular Formula:
C13H10BClF3NO3
Molecular Weight:
331.4826
MDL Number:
MFCD20441810
IUPAC Name:
[4-chloro-5-(pyridin-3-ylmethoxy)-2-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C13H10BClF3NO3/c15-11-4-9(13(16,17)18)10(14(20)21)5-12(11)22-7-8-2-1-3-19-6-8/h1-6,20-21H,7H2
InChI Key:
QZKFKIXASCXOFN-UHFFFAOYSA-N
SMILES:
Clc1cc(c(cc1OCc1cccnc1)B(O)O)C(F)(F)F
Properties
Complexity:
362  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.039g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
331.482g/mol
Monoisotopic Mass:
331.039g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties