Home Boronic acids 2-Bromo-4-(trifluoromethyl)phenylboronic acid

2-Bromo-4-(trifluoromethyl)phenylboronic acid

CAS No.:
959997-88-7
Catalog Number:
AG003BLR
Molecular Formula:
C7H5BBrF3O2
Molecular Weight:
268.8236
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$100
- +
5g
98%
In Stock USA
United States
$300
- +
25g
98%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG003BLR
Chemical Name:
2-Bromo-4-(trifluoromethyl)phenylboronic acid
CAS Number:
959997-88-7
Molecular Formula:
C7H5BBrF3O2
Molecular Weight:
268.8236
MDL Number:
MFCD08532500
IUPAC Name:
[2-bromo-4-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C7H5BBrF3O2/c9-6-3-4(7(10,11)12)1-2-5(6)8(13)14/h1-3,13-14H
InChI Key:
WMKPVTIMXOLNHA-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1Br)C(F)(F)F)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