Home Boronic acids 4-Chloro-3-trifluoromethylphenylboronic acid

4-Chloro-3-trifluoromethylphenylboronic acid

CAS No.:
176976-42-4
Catalog Number:
AG00250R
Molecular Formula:
C7H5BClF3O2
Molecular Weight:
224.3726
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$13
- +
5g
95%
In Stock USA
United States
$44
- +
25g
95%
In Stock USA
United States
$163
- +
100g
95%
In Stock USA
United States
$488
- +
Product Description
Catalog Number:
AG00250R
Chemical Name:
4-Chloro-3-trifluoromethylphenylboronic acid
CAS Number:
176976-42-4
Molecular Formula:
C7H5BClF3O2
Molecular Weight:
224.3726
MDL Number:
MFCD03094999
IUPAC Name:
[4-chloro-3-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C7H5BClF3O2/c9-6-2-1-4(8(13)14)3-5(6)7(10,11)12/h1-3,13-14H
InChI Key:
XHKNQBNGLMOTDB-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)C(F)(F)F)Cl)O
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.002g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
224.37g/mol
Monoisotopic Mass:
224.002g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties