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Home Boronic acids 4-N-Boc-amino-3-methoxy-phenylboronic acid

4-N-Boc-amino-3-methoxy-phenylboronic acid

CAS No.:
669713-95-5
Catalog Number:
AG0064N2
Molecular Formula:
C12H18BNO5
Molecular Weight:
267.0860
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$250
- +
1g
95%
In Stock USA
United States
$625
- +
Product Description
Catalog Number:
AG0064N2
Chemical Name:
4-N-Boc-amino-3-methoxy-phenylboronic acid
CAS Number:
669713-95-5
Molecular Formula:
C12H18BNO5
Molecular Weight:
267.0860
MDL Number:
MFCD03426361
IUPAC Name:
[3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid
InChI:
InChI=1S/C12H18BNO5/c1-12(2,3)19-11(15)14-9-6-5-8(13(16)17)7-10(9)18-4/h5-7,16-17H,1-4H3,(H,14,15)
InChI Key:
PAWJDEHKEKNFAN-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1NC(=O)OC(C)(C)C)B(O)O
Properties
Complexity:
305  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.128g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
267.088g/mol
Monoisotopic Mass:
267.128g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties