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Home > Boronic Acids > 1218791-03-7
1218791-03-7 | 1H-Pyrrole, 1-[(4-methylphenyl)sulfonyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1218791-03-7 Catalog No: AG0016B4 MDL No:MFCD08063116
Product Description
Catalog Number:
AG0016B4
Chemical Name:
1H-Pyrrole, 1-[(4-methylphenyl)sulfonyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1218791-03-7
Molecular Formula:
C17H22BNO4S
Molecular Weight:
347.2369
MDL Number:
MFCD08063116
IUPAC Name:
1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole
InChI:
InChI=1S/C17H22BNO4S/c1-13-6-8-15(9-7-13)24(20,21)19-11-10-14(12-19)18-22-16(2,3)17(4,5)23-18/h6-12H,1-5H3
InChI Key:
GNMRYBQNNQYUDW-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1ccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
548
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.136g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.236g/mol
Monoisotopic Mass:
347.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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