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1147998-42-2 | 1H-Pyrazole-1-carboxylic acid, 4-[1-(phenylsulfonyl)-3-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-, 1,1-diMethylethyl ester
CAS No: 1147998-42-2 Catalog No: AG0099HJ MDL No:
Product Description
Catalog Number:
AG0099HJ
Chemical Name:
1H-Pyrazole-1-carboxylic acid, 4-[1-(phenylsulfonyl)-3-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-, 1,1-diMethylethyl ester
CAS Number:
1147998-42-2
IUPAC Name:
tert-butyl 4-[1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-5-yl]pyrazole-1-carboxylate
InChI:
InChI=1S/C27H31BN4O6S/c1-25(2,3)36-24(33)31-16-19(15-30-31)18-13-21-22(28-37-26(4,5)27(6,7)38-28)17-32(23(21)29-14-18)39(34,35)20-11-9-8-10-12-20/h8-17H,1-7H3
InChI Key:
HVJSSUHCRDGOEZ-UHFFFAOYSA-N
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
550.206g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
550.437g/mol
Monoisotopic Mass:
550.206g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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