Home Boronic acids 3-(2-Morpholinoethoxy)-5-(trifluoromethyl)phenylboronic acid, pinacol ester

3-(2-Morpholinoethoxy)-5-(trifluoromethyl)phenylboronic acid, pinacol ester

CAS No.:
2096333-37-6
Catalog Number:
AG01EHG8
Molecular Formula:
C19H27BF3NO4
Molecular Weight:
401.2282
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$188
- +
1g
98%
In Stock USA
United States
$438
- +
Product Description
Catalog Number:
AG01EHG8
Chemical Name:
3-(2-Morpholinoethoxy)-5-(trifluoromethyl)phenylboronic acid, pinacol ester
CAS Number:
2096333-37-6
Molecular Formula:
C19H27BF3NO4
Molecular Weight:
401.2282
MDL Number:
MFCD19981553
IUPAC Name:
4-[2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenoxy]ethyl]morpholine
InChI:
InChI=1S/C19H27BF3NO4/c1-17(2)18(3,4)28-20(27-17)15-11-14(19(21,22)23)12-16(13-15)26-10-7-24-5-8-25-9-6-24/h11-13H,5-10H2,1-4H3
InChI Key:
KPQJDMOBZAYRTC-UHFFFAOYSA-N
SMILES:
FC(c1cc(OCCN2CCOCC2)cc(c1)B1OC(C(O1)(C)C)(C)C)(F)F
Properties
Complexity:
510  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.199g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
401.233g/mol
Monoisotopic Mass:
401.199g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
40.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties