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Home Boronic acids 3-BOC-amino-4-methylphenylboronic acid

3-BOC-amino-4-methylphenylboronic acid

CAS No.:
850568-81-9
Catalog Number:
AG004YHW
Molecular Formula:
C12H18BNO4
Molecular Weight:
251.0866
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$164
- +
5g
97%
In Stock USA
United States
$657
- +
Product Description
Catalog Number:
AG004YHW
Chemical Name:
3-BOC-amino-4-methylphenylboronic acid
CAS Number:
850568-81-9
Molecular Formula:
C12H18BNO4
Molecular Weight:
251.0866
MDL Number:
MFCD04115654
IUPAC Name:
[4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid
InChI:
InChI=1S/C12H18BNO4/c1-8-5-6-9(13(16)17)7-10(8)14-11(15)18-12(2,3)4/h5-7,16-17H,1-4H3,(H,14,15)
InChI Key:
RUPLVISWFCBMCR-UHFFFAOYSA-N
SMILES:
O=C(c1c(C)ccc(c1N)B(O)O)OC(C)(C)C
Properties
Complexity:
290  
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:
4  
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties