Home Boronic acids 3-Methoxy-4-(trifluoromethyl)phenylboronic acid

3-Methoxy-4-(trifluoromethyl)phenylboronic acid

CAS No.:
1004775-33-0
Catalog Number:
AG00022M
Molecular Formula:
C8H8BF3O3
Molecular Weight:
219.9535
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$188
- +
5g
98%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG00022M
Chemical Name:
3-Methoxy-4-(trifluoromethyl)phenylboronic acid
CAS Number:
1004775-33-0
Molecular Formula:
C8H8BF3O3
Molecular Weight:
219.9535
MDL Number:
MFCD13194426
IUPAC Name:
[3-methoxy-4-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C8H8BF3O3/c1-15-7-4-5(9(13)14)2-3-6(7)8(10,11)12/h2-4,13-14H,1H3
InChI Key:
UHOZSZGYFBEVBA-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1C(F)(F)F)B(O)O
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.052g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
219.954g/mol
Monoisotopic Mass:
220.052g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties