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Home > Quinoline > 952424-09-8
952424-09-8 | 1-oxo-1,2,3,4-tetrahydroisoquinoline-7-sulfonyl chloride
CAS No: 952424-09-8 Catalog No: AG01AIO4 MDL No:MFCD09810455
Product Description
Catalog Number:
AG01AIO4
Chemical Name:
1-oxo-1,2,3,4-tetrahydroisoquinoline-7-sulfonyl chloride
CAS Number:
952424-09-8
Molecular Formula:
C9H8ClNO3S
Molecular Weight:
245.6827
MDL Number:
MFCD09810455
IUPAC Name:
1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonyl chloride
InChI:
InChI=1S/C9H8ClNO3S/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)
InChI Key:
AAKHUSHVJIHFLT-UHFFFAOYSA-N
SMILES:
O=C1NCCc2c1cc(cc2)S(=O)(=O)Cl
Properties
Complexity:
362
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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