Home Boronic acids 4-[(3-Fluorophenyl)(hydroxy)methyl]phenylboronic acid

4-[(3-Fluorophenyl)(hydroxy)methyl]phenylboronic acid

CAS No.:
2096340-25-7
Catalog Number:
AG01EHJA
Molecular Formula:
C13H12BFO3
Molecular Weight:
246.0420
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$225
- +
5g
97%
In Stock USA
United States
$675
- +
Product Description
Catalog Number:
AG01EHJA
Chemical Name:
4-[(3-Fluorophenyl)(hydroxy)methyl]phenylboronic acid
CAS Number:
2096340-25-7
Molecular Formula:
C13H12BFO3
Molecular Weight:
246.0420
MDL Number:
MFCD22205755
IUPAC Name:
[4-[(3-fluorophenyl)-hydroxymethyl]phenyl]boronic acid
InChI:
InChI=1S/C13H12BFO3/c15-12-3-1-2-10(8-12)13(16)9-4-6-11(7-5-9)14(17)18/h1-8,13,16-18H
InChI Key:
KQKCINWLQAXWDS-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)C(c1ccc(cc1)B(O)O)O
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.086g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
246.044g/mol
Monoisotopic Mass:
246.086g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties