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139122-20-6 | 2H-Indol-2-one, 1,3-dihydro-4-[2-[[(4-methylphenyl)sulfonyl]oxy]ethyl]-
CAS No: 139122-20-6 Catalog No: AG001ACS MDL No:MFCD09952011
Product Description
Catalog Number:
AG001ACS
Chemical Name:
2H-Indol-2-one, 1,3-dihydro-4-[2-[[(4-methylphenyl)sulfonyl]oxy]ethyl]-
CAS Number:
139122-20-6
Molecular Formula:
C17H17NO4S
Molecular Weight:
331.3862
MDL Number:
MFCD09952011
IUPAC Name:
2-(2-oxo-1,3-dihydroindol-4-yl)ethyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C17H17NO4S/c1-12-5-7-14(8-6-12)23(20,21)22-10-9-13-3-2-4-16-15(13)11-17(19)18-16/h2-8H,9-11H2,1H3,(H,18,19)
InChI Key:
OGFUVAXFYGBCAK-UHFFFAOYSA-N
SMILES:
O=C1Cc2c(N1)cccc2CCOS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.088g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.386g/mol
Monoisotopic Mass:
331.088g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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