Home Boronic acids 2-(Methoxycarbonyl)-3-(trifluoromethyl)phenylboronic acid

2-(Methoxycarbonyl)-3-(trifluoromethyl)phenylboronic acid

CAS No.:
1150114-32-1
Catalog Number:
AG000FLR
Molecular Formula:
C9H8BF3O4
Molecular Weight:
247.9636
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$188
- +
1g
97%
In Stock USA
United States
$438
- +
5g
97%
In Stock USA
United States
$1750
- +
Product Description
Catalog Number:
AG000FLR
Chemical Name:
2-(Methoxycarbonyl)-3-(trifluoromethyl)phenylboronic acid
CAS Number:
1150114-32-1
Molecular Formula:
C9H8BF3O4
Molecular Weight:
247.9636
MDL Number:
MFCD12025963
IUPAC Name:
[2-methoxycarbonyl-3-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C9H8BF3O4/c1-17-8(14)7-5(9(11,12)13)3-2-4-6(7)10(15)16/h2-4,15-16H,1H3
InChI Key:
QYLNVMDKWLXRDV-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(cccc1C(F)(F)F)B(O)O
Properties
Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.047g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
247.964g/mol
Monoisotopic Mass:
248.047g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties