Home Boronic acids 3-Bromo-5-(trifluoromethyl)phenylboronic acid

3-Bromo-5-(trifluoromethyl)phenylboronic acid

CAS No.:
913835-64-0
Catalog Number:
AG00GSYC
Molecular Formula:
C7H5BBrF3O2
Molecular Weight:
268.8236
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$62
- +
5g
98%
In Stock USA
United States
$200
- +
10g
98%
In Stock USA
United States
$350
- +
25g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG00GSYC
Chemical Name:
3-Bromo-5-(trifluoromethyl)phenylboronic acid
CAS Number:
913835-64-0
Molecular Formula:
C7H5BBrF3O2
Molecular Weight:
268.8236
MDL Number:
MFCD08436051
IUPAC Name:
[3-bromo-5-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C7H5BBrF3O2/c9-6-2-4(7(10,11)12)1-5(3-6)8(13)14/h1-3,13-14H
InChI Key:
VBYUDGIATDPECY-UHFFFAOYSA-N
SMILES:
Brc1cc(cc(c1)C(F)(F)F)B(O)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:
267.952g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
268.824g/mol
Monoisotopic Mass:
267.952g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties