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Home > Boronic Acids > 213318-44-6
213318-44-6 | N-Boc-Indole-2-Boronic Acid
CAS No: 213318-44-6 Catalog No: AG0035D0 MDL No:MFCD02093045
Product Description
Catalog Number:
AG0035D0
Chemical Name:
N-Boc-Indole-2-Boronic Acid
CAS Number:
213318-44-6
Molecular Formula:
C13H16BNO4
Molecular Weight:
261.0814
MDL Number:
MFCD02093045
IUPAC Name:
[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
InChI:
InChI=1S/C13H16BNO4/c1-13(2,3)19-12(16)15-10-7-5-4-6-9(10)8-11(15)14(17)18/h4-8,17-18H,1-3H3
InChI Key:
SVIBPSNFXYUOFT-UHFFFAOYSA-N
SMILES:
OB(c1cc2c(n1C(=O)OC(C)(C)C)cccc2)O
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.117g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.084g/mol
Monoisotopic Mass:
261.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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