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Home > Indoles and Oxindole > 854137-61-4
854137-61-4 | 3-methyl-2-oxo-2,3-dihydro-1H-indole-5-sulfonyl chloride
CAS No: 854137-61-4 Catalog No: AG019OE2 MDL No:MFCD07310994
Product Description
Catalog Number:
AG019OE2
Chemical Name:
3-methyl-2-oxo-2,3-dihydro-1H-indole-5-sulfonyl chloride
CAS Number:
854137-61-4
Molecular Formula:
C9H8ClNO3S
Molecular Weight:
245.6827
MDL Number:
MFCD07310994
IUPAC Name:
3-methyl-2-oxo-1,3-dihydroindole-5-sulfonyl chloride
InChI:
InChI=1S/C9H8ClNO3S/c1-5-7-4-6(15(10,13)14)2-3-8(7)11-9(5)12/h2-5H,1H3,(H,11,12)
InChI Key:
JIIBYPZOZQAHSR-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1C)cc(cc2)S(=O)(=O)Cl
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.991g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.677g/mol
Monoisotopic Mass:
244.991g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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