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Home Boronic acids 2-Isopropoxy-4-trifluoromethylphenylboronic acid

2-Isopropoxy-4-trifluoromethylphenylboronic acid

CAS No.:
1072952-21-6
Catalog Number:
AG007WI8
Molecular Formula:
C10H12BF3O3
Molecular Weight:
248.0067
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$169
- +
1g
96%
In Stock USA
United States
$350
- +
Product Description
Catalog Number:
AG007WI8
Chemical Name:
2-Isopropoxy-4-trifluoromethylphenylboronic acid
CAS Number:
1072952-21-6
Molecular Formula:
C10H12BF3O3
Molecular Weight:
248.0067
MDL Number:
MFCD04972374
IUPAC Name:
[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C10H12BF3O3/c1-6(2)17-9-5-7(10(12,13)14)3-4-8(9)11(15)16/h3-6,15-16H,1-2H3
InChI Key:
IGJULKZGKYXWAR-UHFFFAOYSA-N
SMILES:
CC(Oc1cc(ccc1B(O)O)C(F)(F)F)C
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.083g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
248.008g/mol
Monoisotopic Mass:
248.083g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties