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Home > Boronic Acids > 1004552-87-7
1004552-87-7 | 1H-Indole-1-carboxylic acid, 2-borono-7-hydroxy-, 1-(1,1-dimethylethyl) ester
CAS No: 1004552-87-7 Catalog No: AG009PR0 MDL No:
Product Description
Catalog Number:
AG009PR0
Chemical Name:
1H-Indole-1-carboxylic acid, 2-borono-7-hydroxy-, 1-(1,1-dimethylethyl) ester
CAS Number:
1004552-87-7
IUPAC Name:
[7-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
InChI:
InChI=1S/C13H16BNO5/c1-13(2,3)20-12(17)15-10(14(18)19)7-8-5-4-6-9(16)11(8)15/h4-7,16,18-19H,1-3H3
InChI Key:
FOFQRPHANNBPLE-UHFFFAOYSA-N
Properties
Complexity:
370
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:
3
Isotope Atom Count:
0
Molecular Weight:
277.083g/mol
Monoisotopic Mass:
277.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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