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Home > Boronic Acids > 1197026-60-0
1197026-60-0 | 1-[(4-methylbenzene)sulfonyl]-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
CAS No: 1197026-60-0 Catalog No: AG00HF3P MDL No:MFCD12025510
Product Description
Catalog Number:
AG00HF3P
Chemical Name:
1-[(4-methylbenzene)sulfonyl]-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
CAS Number:
1197026-60-0
Molecular Formula:
C21H24BNO4S
Molecular Weight:
397.2956
MDL Number:
MFCD12025510
IUPAC Name:
1-(4-methylphenyl)sulfonyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
InChI:
InChI=1S/C21H24BNO4S/c1-15-6-10-18(11-7-15)28(24,25)23-13-12-16-8-9-17(14-19(16)23)22-26-20(2,3)21(4,5)27-22/h6-14H,1-5H3
InChI Key:
NWZDMUHNEUWEJD-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1ccc2c1cc(cc2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
665
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.152g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
397.296g/mol
Monoisotopic Mass:
397.152g/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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