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151417-95-7 | 1H-INDOLE, 5-BROMO-3-METHYL-1-(PHENYLSULFONYL)-
CAS No: 151417-95-7 Catalog No: AG001NC4 MDL No:
Product Description
Catalog Number:
AG001NC4
Chemical Name:
1H-INDOLE, 5-BROMO-3-METHYL-1-(PHENYLSULFONYL)-
CAS Number:
151417-95-7
Molecular Formula:
C15H12BrNO2S
Molecular Weight:
350.2303
IUPAC Name:
1-(benzenesulfonyl)-5-bromo-3-methylindole
InChI:
InChI=1S/C15H12BrNO2S/c1-11-10-17(15-8-7-12(16)9-14(11)15)20(18,19)13-5-3-2-4-6-13/h2-10H,1H3
InChI Key:
JICATAYZZGLQIT-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(C)cn2S(=O)(=O)c1ccccc1
Properties
Complexity:
441
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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