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Home Boronic acids 5-Ethoxy-2-fluoro-3-(trifluoromethyl)phenylboronic acid

5-Ethoxy-2-fluoro-3-(trifluoromethyl)phenylboronic acid

CAS No.:
2096332-76-0
Catalog Number:
AG01EHKH
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:
AG01EHKH
Chemical Name:
5-Ethoxy-2-fluoro-3-(trifluoromethyl)phenylboronic acid
CAS Number:
2096332-76-0
Molecular Formula:
C9H9BF4O3
Molecular Weight:
251.9706
MDL Number:
MFCD19981509
IUPAC Name:
[5-ethoxy-2-fluoro-3-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C9H9BF4O3/c1-2-17-5-3-6(9(12,13)14)8(11)7(4-5)10(15)16/h3-4,15-16H,2H2,1H3
InChI Key:
HLNNKYHTOVDUGK-UHFFFAOYSA-N
SMILES:
CCOc1cc(B(O)O)c(c(c1)C(F)(F)F)F
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