Home Boronic acids 4-Methoxycarbonyl-2-trifluoromethylphenylboronic acid pinacol ester

4-Methoxycarbonyl-2-trifluoromethylphenylboronic acid pinacol ester

CAS No.:
1371589-09-1
Catalog Number:
AG00HUSX
Molecular Formula:
C15H18BF3O4
Molecular Weight:
330.1072
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$275
- +
1g
96%
In Stock USA
United States
$688
- +
Product Description
Catalog Number:
AG00HUSX
Chemical Name:
4-Methoxycarbonyl-2-trifluoromethylphenylboronic acid pinacol ester
CAS Number:
1371589-09-1
Molecular Formula:
C15H18BF3O4
Molecular Weight:
330.1072
MDL Number:
MFCD23379538
IUPAC Name:
methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)benzoate
InChI:
InChI=1S/C15H18BF3O4/c1-13(2)14(3,4)23-16(22-13)11-7-6-9(12(20)21-5)8-10(11)15(17,18)19/h6-8H,1-5H3
InChI Key:
AYHRJMPGPKEQBG-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)C(F)(F)F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
448  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.125g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.11g/mol
Monoisotopic Mass:
330.125g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties