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1083326-71-9 | N-(2-Methoxy-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)cyclopropanesulfonaMide
CAS No: 1083326-71-9 Catalog No: AG0099B8 MDL No:MFCD12923394
Product Description
Catalog Number:
AG0099B8
Chemical Name:
N-(2-Methoxy-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)cyclopropanesulfonaMide
CAS Number:
1083326-71-9
Molecular Formula:
C15H23BN2O5S
Molecular Weight:
354.2295
MDL Number:
MFCD12923394
IUPAC Name:
N-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]cyclopropanesulfonamide
InChI:
InChI=1S/C15H23BN2O5S/c1-14(2)15(3,4)23-16(22-14)10-8-12(13(21-5)17-9-10)18-24(19,20)11-6-7-11/h8-9,11,18H,6-7H2,1-5H3
InChI Key:
VRVLTKRJAJYXLT-UHFFFAOYSA-N
SMILES:
COc1ncc(cc1NS(=O)(=O)C1CC1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.142g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.228g/mol
Monoisotopic Mass:
354.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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