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Home > Quinoline > 885273-77-8
885273-77-8 | 1-Oxo-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CAS No: 885273-77-8 Catalog No: AG0046FX MDL No:MFCD04114871
Product Description
Catalog Number:
AG0046FX
Chemical Name:
1-Oxo-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CAS Number:
885273-77-8
Molecular Formula:
C9H10N2O3S
Molecular Weight:
226.2523
MDL Number:
MFCD04114871
IUPAC Name:
1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide
InChI:
InChI=1S/C9H10N2O3S/c10-15(13,14)7-2-1-6-3-4-11-9(12)8(6)5-7/h1-2,5H,3-4H2,(H,11,12)(H2,10,13,14)
InChI Key:
LTDOQWRNSHGTEW-UHFFFAOYSA-N
SMILES:
O=C1NCCc2c1cc(cc2)S(=O)(=O)N
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.041g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.25g/mol
Monoisotopic Mass:
226.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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