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Home > Boronic Acids > 149108-62-3
149108-62-3 | Boronic acid, [5-methoxy-1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl]- (9CI)
CAS No: 149108-62-3 Catalog No: AG001LEX MDL No:
Product Description
Catalog Number:
AG001LEX
Chemical Name:
Boronic acid, [5-methoxy-1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl]- (9CI)
CAS Number:
149108-62-3
Molecular Formula:
C16H16BNO5S
Molecular Weight:
345.1779
IUPAC Name:
[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]boronic acid
InChI:
InChI=1S/C16H16BNO5S/c1-11-3-6-13(7-4-11)24(21,22)18-10-15(17(19)20)14-9-12(23-2)5-8-16(14)18/h3-10,19-20H,1-2H3
InChI Key:
HVTVYGVLSXIXDW-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(cn2S(=O)(=O)c1ccc(cc1)C)B(O)O
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.084g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
345.176g/mol
Monoisotopic Mass:
345.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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