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

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

CAS No.:
2096339-46-5
Catalog Number:
AG01EHNQ
Molecular Formula:
C13H10BClF3NO4
Molecular Weight:
347.4820
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
97%
In Stock USA
United States
$475
- +
250mg
97%
In Stock USA
United States
$813
- +
1g
97%
In Stock USA
United States
$1875
- +
Product Description
Catalog Number:
AG01EHNQ
Chemical Name:
[2-Chloro-5-(pyridin-3-ylmethoxy)-4-(trifluoromethoxy)phenyl]boronic acid
CAS Number:
2096339-46-5
Molecular Formula:
C13H10BClF3NO4
Molecular Weight:
347.4820
MDL Number:
MFCD20441811
IUPAC Name:
[2-chloro-5-(pyridin-3-ylmethoxy)-4-(trifluoromethoxy)phenyl]boronic acid
InChI:
InChI=1S/C13H10BClF3NO4/c15-10-5-12(23-13(16,17)18)11(4-9(10)14(20)21)22-7-8-2-1-3-19-6-8/h1-6,20-21H,7H2
InChI Key:
HILGEFZBTTXWBZ-UHFFFAOYSA-N
SMILES:
OB(c1cc(OCc2cccnc2)c(cc1Cl)OC(F)(F)F)O
Properties
Complexity:
378  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.034g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
347.481g/mol
Monoisotopic Mass:
347.034g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties