Home Boronic acids 5-(N-Cyclohexylaminomethyl)-2-fluorophenylboronic acid, pinacol ester

5-(N-Cyclohexylaminomethyl)-2-fluorophenylboronic acid, pinacol ester

CAS No.:
2096340-16-6
Catalog Number:
AG01EHEQ
Molecular Formula:
C19H29BFNO2
Molecular Weight:
333.2485
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$150
- +
5g
97%
In Stock USA
United States
$450
- +
10g
97%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG01EHEQ
Chemical Name:
5-(N-Cyclohexylaminomethyl)-2-fluorophenylboronic acid, pinacol ester
CAS Number:
2096340-16-6
Molecular Formula:
C19H29BFNO2
Molecular Weight:
333.2485
MDL Number:
MFCD18311899
IUPAC Name:
N-[[4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclohexanamine
InChI:
InChI=1S/C19H29BFNO2/c1-18(2)19(3,4)24-20(23-18)16-12-14(10-11-17(16)21)13-22-15-8-6-5-7-9-15/h10-12,15,22H,5-9,13H2,1-4H3
InChI Key:
VMNXNNPQSUYOIH-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1B1OC(C(O1)(C)C)(C)C)CNC1CCCCC1
Properties
Complexity:
410  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.228g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
333.254g/mol
Monoisotopic Mass:
333.228g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties