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

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

CAS No.:
2096339-47-6
Catalog Number:
AG01EHBR
Molecular Formula:
C11H13BF4O3
Molecular Weight:
280.0237
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$100
- +
5g
98%
In Stock USA
United States
$300
- +
10g
98%
In Stock USA
United States
$525
- +
25g
98%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG01EHBR
Chemical Name:
3-Butoxy-4-fluoro-5-(trifluoromethyl)phenylboronic acid
CAS Number:
2096339-47-6
Molecular Formula:
C11H13BF4O3
Molecular Weight:
280.0237
MDL Number:
MFCD21332931
IUPAC Name:
[3-butoxy-4-fluoro-5-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C11H13BF4O3/c1-2-3-4-19-9-6-7(12(17)18)5-8(10(9)13)11(14,15)16/h5-6,17-18H,2-4H2,1H3
InChI Key:
LAVWNAWXHBDFEW-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(cc(c1F)C(F)(F)F)B(O)O
Properties
Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.089g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
280.026g/mol
Monoisotopic Mass:
280.089g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties