Home Boronic acids 2-((Diisopropylamino)methyl)-5-fluorophenylboronic acid

2-((Diisopropylamino)methyl)-5-fluorophenylboronic acid

CAS No.:
2096337-77-6
Catalog Number:
AG01EHJH
Molecular Formula:
C13H21BFNO2
Molecular Weight:
253.1207
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$438
- +
5g
96%
In Stock USA
United States
$1225
- +
Product Description
Catalog Number:
AG01EHJH
Chemical Name:
2-((Diisopropylamino)methyl)-5-fluorophenylboronic acid
CAS Number:
2096337-77-6
Molecular Formula:
C13H21BFNO2
Molecular Weight:
253.1207
MDL Number:
MFCD18783122
IUPAC Name:
[2-[[di(propan-2-yl)amino]methyl]-5-fluorophenyl]boronic acid
InChI:
InChI=1S/C13H21BFNO2/c1-9(2)16(10(3)4)8-11-5-6-12(15)7-13(11)14(17)18/h5-7,9-10,17-18H,8H2,1-4H3
InChI Key:
LJPSUMCMXGDHJI-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)B(O)O)CN(C(C)C)C(C)C
Properties
Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.165g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
253.124g/mol
Monoisotopic Mass:
253.165g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties