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1014613-45-6 | Boronic acid, B-[2-(difluoroMethyl)-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-
CAS No: 1014613-45-6 Catalog No: AG009LS6 MDL No:
Product Description
Catalog Number:
AG009LS6
Chemical Name:
Boronic acid, B-[2-(difluoroMethyl)-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-
CAS Number:
1014613-45-6
IUPAC Name:
[1-(benzenesulfonyl)-2-(difluoromethyl)pyrrolo[2,3-b]pyridin-4-yl]boronic acid
InChI:
InChI=1S/C14H11BF2N2O4S/c16-13(17)12-8-10-11(15(20)21)6-7-18-14(10)19(12)24(22,23)9-4-2-1-3-5-9/h1-8,13,20-21H
InChI Key:
VIGTVDHBQHDFPC-UHFFFAOYSA-N
Properties
Complexity:
539
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.05g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
352.119g/mol
Monoisotopic Mass:
352.05g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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