Home Boronic acids 3-Carboxy-4-(trifluoromethoxy)phenylboronic acid

3-Carboxy-4-(trifluoromethoxy)phenylboronic acid

CAS No.:
2096329-67-6
Catalog Number:
AG01EHBK
Molecular Formula:
C8H6BF3O5
Molecular Weight:
249.9364
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$350
- +
5g
98%
In Stock USA
United States
$1050
- +
10g
98%
In Stock USA
United States
$1600
- +
Product Description
Catalog Number:
AG01EHBK
Chemical Name:
3-Carboxy-4-(trifluoromethoxy)phenylboronic acid
CAS Number:
2096329-67-6
Molecular Formula:
C8H6BF3O5
Molecular Weight:
249.9364
MDL Number:
MFCD20231437
IUPAC Name:
5-borono-2-(trifluoromethoxy)benzoic acid
InChI:
InChI=1S/C8H6BF3O5/c10-8(11,12)17-6-2-1-4(9(15)16)3-5(6)7(13)14/h1-3,15-16H,(H,13,14)
InChI Key:
HOQWULMXJNHMDR-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1OC(F)(F)F)B(O)O
Properties
Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.026g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
249.936g/mol
Monoisotopic Mass:
250.026g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties