Home Boronic acids 2,4-Difluoro-5-methoxyphenyl-1,3-diboronic acid, pinacol ester

2,4-Difluoro-5-methoxyphenyl-1,3-diboronic acid, pinacol ester

CAS No.:
2096332-73-7
Catalog Number:
AG01EHB0
Molecular Formula:
C19H28B2F2O5
Molecular Weight:
396.0414
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$150
- +
5g
96%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG01EHB0
Chemical Name:
2,4-Difluoro-5-methoxyphenyl-1,3-diboronic acid, pinacol ester
CAS Number:
2096332-73-7
Molecular Formula:
C19H28B2F2O5
Molecular Weight:
396.0414
MDL Number:
MFCD18434472
IUPAC Name:
2-[2,4-difluoro-5-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C19H28B2F2O5/c1-16(2)17(3,4)26-20(25-16)11-10-12(24-9)15(23)13(14(11)22)21-27-18(5,6)19(7,8)28-21/h10H,1-9H3
InChI Key:
NSADMYCXJHVNBT-UHFFFAOYSA-N
SMILES:
COc1cc(B2OC(C(O2)(C)C)(C)C)c(c(c1F)B1OC(C(O1)(C)C)(C)C)F
Properties
Complexity:
569  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.209g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.045g/mol
Monoisotopic Mass:
396.209g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties