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Home > Boronic Acids > 870717-93-4
870717-93-4 | 1-(Phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
CAS No: 870717-93-4 Catalog No: AG003D42 MDL No:MFCD08276778
Product Description
Catalog Number:
AG003D42
Chemical Name:
1-(Phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
CAS Number:
870717-93-4
Molecular Formula:
C20H22BNO4S
Molecular Weight:
383.2690
MDL Number:
MFCD08276778
IUPAC Name:
1-(benzenesulfonyl)-3-(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)17-14-22(18-13-9-8-12-16(17)18)27(23,24)15-10-6-5-7-11-15/h5-14H,1-4H3
InChI Key:
OMZLHWZHHPAZPW-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cn(c2c1cccc2)S(=O)(=O)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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