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Home > Boronic Acids > 1112983-31-9
1112983-31-9 | N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]-4-fluorobenzene-1-sulfonamide
CAS No: 1112983-31-9 Catalog No: AG00HC4S MDL No:
Product Description
Catalog Number:
AG00HC4S
Chemical Name:
N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]-4-fluorobenzene-1-sulfonamide
CAS Number:
1112983-31-9
Molecular Formula:
C17H19BClFN2O4S
Molecular Weight:
412.6712
IUPAC Name:
N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]-4-fluorobenzenesulfonamide
InChI:
InChI=1S/C17H19BClFN2O4S/c1-16(2)17(3,4)26-18(25-16)11-9-14(15(19)21-10-11)22-27(23,24)13-7-5-12(20)6-8-13/h5-10,22H,1-4H3
InChI Key:
GHXSQCYJFLBHDG-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
621
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.083g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
412.667g/mol
Monoisotopic Mass:
412.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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