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Home > Boronic Acids > 1256360-46-9
1256360-46-9 | Pyridine, 1,2,3,6-tetrahydro-1-[(4-methylphenyl)sulfonyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1256360-46-9 Catalog No: AG000O7F MDL No:MFCD17926518
Product Description
Catalog Number:
AG000O7F
Chemical Name:
Pyridine, 1,2,3,6-tetrahydro-1-[(4-methylphenyl)sulfonyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1256360-46-9
Molecular Formula:
C18H26BNO4S
Molecular Weight:
363.2793
MDL Number:
MFCD17926518
IUPAC Name:
1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine
InChI:
InChI=1S/C18H26BNO4S/c1-14-6-8-16(9-7-14)25(21,22)20-12-10-15(11-13-20)19-23-17(2,3)18(4,5)24-19/h6-10H,11-13H2,1-5H3
InChI Key:
HSUXBKSAYIKGHM-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1CCC(=CC1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
614
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.168g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.279g/mol
Monoisotopic Mass:
363.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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