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1083326-73-1 | 2,4-difluoro-N-(2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)benzenesulfonamide
CAS No: 1083326-73-1 Catalog No: AG008TBM MDL No:MFCD12923393
Product Description
Catalog Number:
AG008TBM
Chemical Name:
2,4-difluoro-N-(2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)benzenesulfonamide
CAS Number:
1083326-73-1
Molecular Formula:
C18H21BF2N2O5S
Molecular Weight:
426.2425
MDL Number:
MFCD12923393
IUPAC Name:
2,4-difluoro-N-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]benzenesulfonamide
InChI:
InChI=1S/C18H21BF2N2O5S/c1-17(2)18(3,4)28-19(27-17)11-8-14(16(26-5)22-10-11)23-29(24,25)15-7-6-12(20)9-13(15)21/h6-10,23H,1-5H3
InChI Key:
CTHJPTSKLMLUCQ-UHFFFAOYSA-N
SMILES:
COc1ncc(cc1NS(=O)(=O)c1ccc(cc1F)F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
674
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.123g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
426.242g/mol
Monoisotopic Mass:
426.123g/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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