Home Boronic acids 4-(N-Boc-aminomethyl)-3-fluorobenzeneboronic acid pinacol ester

4-(N-Boc-aminomethyl)-3-fluorobenzeneboronic acid pinacol ester

CAS No.:
1351501-44-4
Catalog Number:
AG00HTWT
Molecular Formula:
C18H27BFNO4
Molecular Weight:
351.2207
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$188
- +
1g
96%
In Stock USA
United States
$563
- +
5g
96%
In Stock USA
United States
$1600
- +
Product Description
Catalog Number:
AG00HTWT
Chemical Name:
4-(N-Boc-aminomethyl)-3-fluorobenzeneboronic acid pinacol ester
CAS Number:
1351501-44-4
Molecular Formula:
C18H27BFNO4
Molecular Weight:
351.2207
MDL Number:
MFCD22494714
IUPAC Name:
tert-butyl N-[[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate
InChI:
InChI=1S/C18H27BFNO4/c1-16(2,3)23-15(22)21-11-12-8-9-13(10-14(12)20)19-24-17(4,5)18(6,7)25-19/h8-10H,11H2,1-7H3,(H,21,22)
InChI Key:
SAUVAJYHMCIQNE-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1ccc(cc1F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
476  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.202g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
351.225g/mol
Monoisotopic Mass:
351.202g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties