Home Boronic acids 2-(1-BOC-Pyrrolidin-3-yloxy)pyrimidine-5-boronic acid

2-(1-BOC-Pyrrolidin-3-yloxy)pyrimidine-5-boronic acid

CAS No.:
2096337-78-7
Catalog Number:
AG01EHMP
Molecular Formula:
C13H20BN3O5
Molecular Weight:
309.1260
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$275
- +
1g
95%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG01EHMP
Chemical Name:
2-(1-BOC-Pyrrolidin-3-yloxy)pyrimidine-5-boronic acid
CAS Number:
2096337-78-7
Molecular Formula:
C13H20BN3O5
Molecular Weight:
309.1260
MDL Number:
MFCD11877767
IUPAC Name:
[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxypyrimidin-5-yl]boronic acid
InChI:
InChI=1S/C13H20BN3O5/c1-13(2,3)22-12(18)17-5-4-10(8-17)21-11-15-6-9(7-16-11)14(19)20/h6-7,10,19-20H,4-5,8H2,1-3H3
InChI Key:
AITHNJSHQLUWRP-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C1)Oc1ncc(cn1)B(O)O)OC(C)(C)C
Properties
Complexity:
382  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.15g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
309.129g/mol
Monoisotopic Mass:
309.15g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties