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289503-26-0 | Boronic acid, [6-bromo-1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl]- (9CI)
CAS No: 289503-26-0 Catalog No: AG002X67 MDL No:
Product Description
Catalog Number:
AG002X67
Chemical Name:
Boronic acid, [6-bromo-1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl]- (9CI)
CAS Number:
289503-26-0
Molecular Formula:
C15H13BBrNO4S
Molecular Weight:
394.0480
IUPAC Name:
[6-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]boronic acid
InChI:
InChI=1S/C15H13BBrNO4S/c1-10-2-5-12(6-3-10)23(21,22)18-9-14(16(19)20)13-7-4-11(17)8-15(13)18/h2-9,19-20H,1H3
InChI Key:
CAVKNPOIZLDLLJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1cc(c2c1cc(Br)cc2)B(O)O
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.984g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
394.046g/mol
Monoisotopic Mass:
392.984g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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