Home Boronic acids 3-Methoxycarbonyl-5-trifluoromethoxylphenylboronic acid, pinacol ester

3-Methoxycarbonyl-5-trifluoromethoxylphenylboronic acid, pinacol ester

CAS No.:
1150561-63-9
Catalog Number:
AG000FT2
Molecular Formula:
C15H18BF3O5
Molecular Weight:
346.1066
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$275
- +
1g
98%
In Stock USA
United States
$438
- +
Product Description
Catalog Number:
AG000FT2
Chemical Name:
3-Methoxycarbonyl-5-trifluoromethoxylphenylboronic acid, pinacol ester
CAS Number:
1150561-63-9
Molecular Formula:
C15H18BF3O5
Molecular Weight:
346.1066
MDL Number:
MFCD12026096
IUPAC Name:
methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethoxy)benzoate
InChI:
InChI=1S/C15H18BF3O5/c1-13(2)14(3,4)24-16(23-13)10-6-9(12(20)21-5)7-11(8-10)22-15(17,18)19/h6-8H,1-5H3
InChI Key:
NLRSCERUFCDHRU-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(c1)B1OC(C(O1)(C)C)(C)C)OC(F)(F)F
Properties
Complexity:
464  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.12g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.109g/mol
Monoisotopic Mass:
346.12g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties