Home Boronic acids 3-(Pentyloxy)-5-(trifluoromethoxy)phenylboronic acid

3-(Pentyloxy)-5-(trifluoromethoxy)phenylboronic acid

CAS No.:
2096339-81-8
Catalog Number:
AG01EHCR
Molecular Formula:
C12H16BF3O4
Molecular Weight:
292.0592
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$75
- +
5g
97%
In Stock USA
United States
$225
- +
25g
97%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG01EHCR
Chemical Name:
3-(Pentyloxy)-5-(trifluoromethoxy)phenylboronic acid
CAS Number:
2096339-81-8
Molecular Formula:
C12H16BF3O4
Molecular Weight:
292.0592
MDL Number:
MFCD18434421
IUPAC Name:
[3-pentoxy-5-(trifluoromethoxy)phenyl]boronic acid
InChI:
InChI=1S/C12H16BF3O4/c1-2-3-4-5-19-10-6-9(13(17)18)7-11(8-10)20-12(14,15)16/h6-8,17-18H,2-5H2,1H3
InChI Key:
KPXIDLPMGPLNPS-UHFFFAOYSA-N
SMILES:
CCCCCOc1cc(cc(c1)B(O)O)OC(F)(F)F
Properties
Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.109g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
292.061g/mol
Monoisotopic Mass:
292.109g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties