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Home > Boronic Acids > 1256359-23-5
1256359-23-5 | 1H-Indole, 1-(phenylsulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1256359-23-5 Catalog No: AG000O79 MDL No:MFCD12828206
Product Description
Catalog Number:
AG000O79
Chemical Name:
1H-Indole, 1-(phenylsulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1256359-23-5
Molecular Formula:
C20H22BNO4S
Molecular Weight:
383.2690
MDL Number:
MFCD12828206
IUPAC Name:
1-(benzenesulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
InChI:
InChI=1S/C20H22BNO4S/c1-19(2)20(3,4)26-21(25-19)16-10-11-18-15(14-16)12-13-22(18)27(23,24)17-8-6-5-7-9-17/h5-14H,1-4H3
InChI Key:
MAEPBZSZYVADGK-UHFFFAOYSA-N
SMILES:
O=S(=O)(n1ccc2c1ccc(c2)B1OC(C(O1)(C)C)(C)C)c1ccccc1
Properties
Complexity:
637
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.136g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
383.269g/mol
Monoisotopic Mass:
383.136g/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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