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Home > Boronic Acids > 1111637-67-2
1111637-67-2 | 1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 5-borono-2,3-dihydro-3-Methyl-, 1-(1,1-diMethylethyl) este
CAS No: 1111637-67-2 Catalog No: AG0099FX MDL No:
Product Description
Catalog Number:
AG0099FX
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 5-borono-2,3-dihydro-3-Methyl-, 1-(1,1-diMethylethyl) este
CAS Number:
1111637-67-2
IUPAC Name:
[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]boronic acid
InChI:
InChI=1S/C13H19BN2O4/c1-8-7-16(12(17)20-13(2,3)4)11-10(8)5-9(6-15-11)14(18)19/h5-6,8,18-19H,7H2,1-4H3
InChI Key:
VPOTZRZXYZYXFP-UHFFFAOYSA-N
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.144g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.115g/mol
Monoisotopic Mass:
278.144g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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