Home Boronic acids 1-BOC-4-(ethoxycarbonyl)indole-2-boronic acid

1-BOC-4-(ethoxycarbonyl)indole-2-boronic acid

CAS No.:
1150114-37-6
Catalog Number:
AG000FLO
Molecular Formula:
C16H20BNO6
Molecular Weight:
333.1441
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$150
- +
1g
97%
In Stock USA
United States
$350
- +
Product Description
Catalog Number:
AG000FLO
Chemical Name:
1-BOC-4-(ethoxycarbonyl)indole-2-boronic acid
CAS Number:
1150114-37-6
Molecular Formula:
C16H20BNO6
Molecular Weight:
333.1441
MDL Number:
MFCD11855837
IUPAC Name:
[4-ethoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
InChI:
InChI=1S/C16H20BNO6/c1-5-23-14(19)10-7-6-8-12-11(10)9-13(17(21)22)18(12)15(20)24-16(2,3)4/h6-9,21-22H,5H2,1-4H3
InChI Key:
CMIITQPDAMRGSX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc2c1cc(n2C(=O)OC(C)(C)C)B(O)O
Properties
Complexity:
478  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.138g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
333.147g/mol
Monoisotopic Mass:
333.138g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties