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416879-19-1 | 2-Formylquinolin-8-yl 4-methylbenzenesulfonate
CAS No: 416879-19-1 Catalog No: AG01E7UI MDL No:
Product Description
Catalog Number:
AG01E7UI
Chemical Name:
2-Formylquinolin-8-yl 4-methylbenzenesulfonate
CAS Number:
416879-19-1
IUPAC Name:
(2-formylquinolin-8-yl) 4-methylbenzenesulfonate
InChI:
InChI=1S/C17H13NO4S/c1-12-5-9-15(10-6-12)23(20,21)22-16-4-2-3-13-7-8-14(11-19)18-17(13)16/h2-11H,1H3
InChI Key:
DULAWAUIEAUDLS-UHFFFAOYSA-N
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.057g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.354g/mol
Monoisotopic Mass:
327.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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