Home Boronic acids 3-(Diethylcarbamoyl)-4-fluorophenylboronic acid

3-(Diethylcarbamoyl)-4-fluorophenylboronic acid

CAS No.:
874219-28-0
Catalog Number:
AG0036BR
Molecular Formula:
C11H15BFNO3
Molecular Weight:
239.0511
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$94
- +
5g
98%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG0036BR
Chemical Name:
3-(Diethylcarbamoyl)-4-fluorophenylboronic acid
CAS Number:
874219-28-0
Molecular Formula:
C11H15BFNO3
Molecular Weight:
239.0511
MDL Number:
MFCD08235047
IUPAC Name:
[3-(diethylcarbamoyl)-4-fluorophenyl]boronic acid
InChI:
InChI=1S/C11H15BFNO3/c1-3-14(4-2)11(15)9-7-8(12(16)17)5-6-10(9)13/h5-7,16-17H,3-4H2,1-2H3
InChI Key:
CINQYDGBDNUJIH-UHFFFAOYSA-N
SMILES:
CCN(C(=O)c1cc(ccc1F)B(O)O)CC
Properties
Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.113g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
239.053g/mol
Monoisotopic Mass:
239.113g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties