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5761-64-8 | 1-(TOLUENE-4-SULFONYL)-1,2,3,4-TETRAHYDRO-QUINOXALINE
CAS No: 5761-64-8 Catalog No: AG00EDP8 MDL No:MFCD08277624
Product Description
Catalog Number:
AG00EDP8
Chemical Name:
1-(TOLUENE-4-SULFONYL)-1,2,3,4-TETRAHYDRO-QUINOXALINE
CAS Number:
5761-64-8
Molecular Formula:
C15H16N2O2S
Molecular Weight:
288.3647
MDL Number:
MFCD08277624
IUPAC Name:
4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-quinoxaline
InChI:
InChI=1S/C15H16N2O2S/c1-12-6-8-13(9-7-12)20(18,19)17-11-10-16-14-4-2-3-5-15(14)17/h2-9,16H,10-11H2,1H3
InChI Key:
UDBXBLJLRGWWOC-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1CCNc2c1cccc2
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.093g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.365g/mol
Monoisotopic Mass:
288.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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