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847779-65-1 | Sulfonium, [2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]dimethyl-, chloride
CAS No: 847779-65-1 Catalog No: AG004XT7 MDL No:
Product Description
Catalog Number:
AG004XT7
Chemical Name:
Sulfonium, [2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]dimethyl-, chloride
CAS Number:
847779-65-1
Molecular Formula:
C12H16ClNOS
Molecular Weight:
257.7795
IUPAC Name:
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-dimethylsulfanium;chloride
InChI:
InChI=1S/C12H16NOS.ClH/c1-15(2)9-12(14)13-8-7-10-5-3-4-6-11(10)13;/h3-6H,7-9H2,1-2H3;1H/q+1;/p-1
InChI Key:
XAAUNACWSIMBAZ-UHFFFAOYSA-M
SMILES:
C[S+](CC(=O)N1CCc2c1cccc2)C.[Cl-]
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.776g/mol
Monoisotopic Mass:
257.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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