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Home Boronic acids 3-Ethoxy-4-fluoro-5-(trifluoromethyl)phenylboronic acid

3-Ethoxy-4-fluoro-5-(trifluoromethyl)phenylboronic acid

CAS No.:
2096341-62-5
Catalog Number:
AG01EHAQ
Molecular Formula:
C9H9BF4O3
Molecular Weight:
251.9706
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$150
- +
5g
98%
In Stock USA
United States
$450
- +
10g
98%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG01EHAQ
Chemical Name:
3-Ethoxy-4-fluoro-5-(trifluoromethyl)phenylboronic acid
CAS Number:
2096341-62-5
Molecular Formula:
C9H9BF4O3
Molecular Weight:
251.9706
MDL Number:
MFCD20529447
IUPAC Name:
[3-ethoxy-4-fluoro-5-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C9H9BF4O3/c1-2-17-7-4-5(10(15)16)3-6(8(7)11)9(12,13)14/h3-4,15-16H,2H2,1H3
InChI Key:
IMPXHVASTNGBSE-UHFFFAOYSA-N
SMILES:
CCOc1cc(cc(c1F)C(F)(F)F)B(O)O
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.058g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
251.972g/mol
Monoisotopic Mass:
252.058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties