Home Boronic acids 3-Methyl-4-trifluoromethyl-phenylboronic acid

3-Methyl-4-trifluoromethyl-phenylboronic acid

CAS No.:
864759-67-1
Catalog Number:
AG008G2H
Molecular Formula:
C8H8BF3O2
Molecular Weight:
203.9541
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$225
- +
5g
98%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG008G2H
Chemical Name:
3-Methyl-4-trifluoromethyl-phenylboronic acid
CAS Number:
864759-67-1
Molecular Formula:
C8H8BF3O2
Molecular Weight:
203.9541
MDL Number:
MFCD08706260
IUPAC Name:
[3-methyl-4-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C8H8BF3O2/c1-5-4-6(9(13)14)2-3-7(5)8(10,11)12/h2-4,13-14H,1H3
InChI Key:
WYIPXMTWQBAPEE-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)C)C(F)(F)F)O
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.057g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
203.955g/mol
Monoisotopic Mass:
204.057g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties