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Home Boronic acids 3-(N-Boc-aminomethyl)phenylboronic acid

3-(N-Boc-aminomethyl)phenylboronic acid

CAS No.:
199609-62-6
Catalog Number:
AG002C82
Molecular Formula:
C12H18BNO4
Molecular Weight:
251.0866
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$125
- +
5g
97%
In Stock USA
United States
$500
- +
Product Description
Catalog Number:
AG002C82
Chemical Name:
3-(N-Boc-aminomethyl)phenylboronic acid
CAS Number:
199609-62-6
Molecular Formula:
C12H18BNO4
Molecular Weight:
251.0866
MDL Number:
MFCD06246052
IUPAC Name:
[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid
InChI:
InChI=1S/C12H18BNO4/c1-12(2,3)18-11(15)14-8-9-5-4-6-10(7-9)13(16)17/h4-7,16-17H,8H2,1-3H3,(H,14,15)
InChI Key:
YHAQUGOSDQZIMA-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1cccc(c1)B(O)O
Properties
Complexity:
278  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.133g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
251.089g/mol
Monoisotopic Mass:
251.133g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties