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189266-03-3 | 1H-INDOLE, 7-BROMO-1-[(4-METHYLPHENYL)SULFONYL]-
CAS No: 189266-03-3 Catalog No: AG002I5O MDL No:
Product Description
Catalog Number:
AG002I5O
Chemical Name:
1H-INDOLE, 7-BROMO-1-[(4-METHYLPHENYL)SULFONYL]-
CAS Number:
189266-03-3
Molecular Formula:
C15H12BrNO2S
Molecular Weight:
350.2303
IUPAC Name:
7-bromo-1-(4-methylphenyl)sulfonylindole
InChI:
InChI=1S/C15H12BrNO2S/c1-11-5-7-13(8-6-11)20(18,19)17-10-9-12-3-2-4-14(16)15(12)17/h2-10H,1H3
InChI Key:
LUMRKZWMFDOIQH-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1ccc2c1c(Br)ccc2
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.977g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.23g/mol
Monoisotopic Mass:
348.977g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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