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Home > Boronic Acids > 1256345-64-8
1256345-64-8 | 1H-Indole-1-carboxylic acid, 5-borono-2,3-dihydro-2-oxo-, 1-(1,1-dimethylethyl) ester
CAS No: 1256345-64-8 Catalog No: AG000O01 MDL No:MFCD17015729
Product Description
Catalog Number:
AG000O01
Chemical Name:
1H-Indole-1-carboxylic acid, 5-borono-2,3-dihydro-2-oxo-, 1-(1,1-dimethylethyl) ester
CAS Number:
1256345-64-8
Molecular Formula:
C13H16BNO5
Molecular Weight:
277.0808
MDL Number:
MFCD17015729
IUPAC Name:
[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3H-indol-5-yl]boronic acid
InChI:
InChI=1S/C13H16BNO5/c1-13(2,3)20-12(17)15-10-5-4-9(14(18)19)6-8(10)7-11(15)16/h4-6,18-19H,7H2,1-3H3
InChI Key:
UXXKKSRXRLPRCP-UHFFFAOYSA-N
SMILES:
O=C1Cc2c(N1C(=O)OC(C)(C)C)ccc(c2)B(O)O
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.112g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.083g/mol
Monoisotopic Mass:
277.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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