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Home > Boronic Acids > 1083326-81-1
1083326-81-1 | 5-(1-Ethyl-1H-pyrazole-4-sulfonamido)-6-methoxypyridine-3-boronic acid pinacol ester
CAS No: 1083326-81-1 Catalog No: AG00HB5Y MDL No:MFCD13191344
Product Description
Catalog Number:
AG00HB5Y
Chemical Name:
5-(1-Ethyl-1H-pyrazole-4-sulfonamido)-6-methoxypyridine-3-boronic acid pinacol ester
CAS Number:
1083326-81-1
Molecular Formula:
C17H25BN4O5S
Molecular Weight:
408.2802
MDL Number:
MFCD13191344
IUPAC Name:
1-ethyl-N-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]pyrazole-4-sulfonamide
InChI:
InChI=1S/C17H25BN4O5S/c1-7-22-11-13(10-20-22)28(23,24)21-14-8-12(9-19-15(14)25-6)18-26-16(2,3)17(4,5)27-18/h8-11,21H,7H2,1-6H3
InChI Key:
FBCLBOUNRRUOJP-UHFFFAOYSA-N
SMILES:
COc1ncc(cc1NS(=O)(=O)c1cnn(c1)CC)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
640
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.164g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
408.28g/mol
Monoisotopic Mass:
408.164g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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