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Home > Boronic Acids > 181365-26-4
181365-26-4 | 1H-Indole-1-carboxylic acid, 3-borono-, 1-(1,1-dimethylethyl) ester
CAS No: 181365-26-4 Catalog No: AG0022U9 MDL No:MFCD06656257
Product Description
Catalog Number:
AG0022U9
Chemical Name:
1H-Indole-1-carboxylic acid, 3-borono-, 1-(1,1-dimethylethyl) ester
CAS Number:
181365-26-4
Molecular Formula:
C13H16BNO4
Molecular Weight:
261.0814
MDL Number:
MFCD06656257
IUPAC Name:
[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]boronic acid
InChI:
InChI=1S/C13H16BNO4/c1-13(2,3)19-12(16)15-8-10(14(17)18)9-6-4-5-7-11(9)15/h4-8,17-18H,1-3H3
InChI Key:
UAGJZZDMFOTJRN-UHFFFAOYSA-N
SMILES:
OB(c1cn(c2c1cccc2)C(=O)OC(C)(C)C)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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