Home Boronic acids 2-Methyl-4-trifluoromethoxyphenylboronic acid

2-Methyl-4-trifluoromethoxyphenylboronic acid

CAS No.:
850033-39-5
Catalog Number:
AG004U3D
Molecular Formula:
C8H8BF3O3
Molecular Weight:
219.9535
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$138
- +
1g
98%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG004U3D
Chemical Name:
2-Methyl-4-trifluoromethoxyphenylboronic acid
CAS Number:
850033-39-5
Molecular Formula:
C8H8BF3O3
Molecular Weight:
219.9535
MDL Number:
MFCD09475816
IUPAC Name:
[2-methyl-4-(trifluoromethoxy)phenyl]boronic acid
InChI:
InChI=1S/C8H8BF3O3/c1-5-4-6(15-8(10,11)12)2-3-7(5)9(13)14/h2-4,13-14H,1H3
InChI Key:
VZNGQLGNHIYWOD-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1C)OC(F)(F)F)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