Home Boronic acids 3-(N-Boc-Amino)-5-carboxyphenylboronic acid

3-(N-Boc-Amino)-5-carboxyphenylboronic acid

CAS No.:
913835-72-0
Catalog Number:
AG006BHR
Molecular Formula:
C12H16BNO6
Molecular Weight:
281.0695
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$150
- +
5g
98%
In Stock USA
United States
$600
- +
10g
98%
In Stock USA
United States
$1200
- +
Product Description
Catalog Number:
AG006BHR
Chemical Name:
3-(N-Boc-Amino)-5-carboxyphenylboronic acid
CAS Number:
913835-72-0
Molecular Formula:
C12H16BNO6
Molecular Weight:
281.0695
MDL Number:
MFCD08689482
IUPAC Name:
3-borono-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
InChI:
InChI=1S/C12H16BNO6/c1-12(2,3)20-11(17)14-9-5-7(10(15)16)4-8(6-9)13(18)19/h4-6,18-19H,1-3H3,(H,14,17)(H,15,16)
InChI Key:
DDZVPNHBJRCXEI-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1cc(cc(c1)C(=O)O)B(O)O
Properties
Complexity:
367  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.107g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
281.071g/mol
Monoisotopic Mass:
281.107g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties