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1532-82-7 | 4-(4-Methylbenzenesulfonate)-4-isoquinolinol
CAS No: 1532-82-7 Catalog No: AG01E2BI MDL No:
Product Description
Catalog Number:
AG01E2BI
Chemical Name:
4-(4-Methylbenzenesulfonate)-4-isoquinolinol
CAS Number:
1532-82-7
IUPAC Name:
isoquinolin-4-yl 4-methylbenzenesulfonate
InChI:
InChI=1S/C16H13NO3S/c1-12-6-8-14(9-7-12)21(18,19)20-16-11-17-10-13-4-2-3-5-15(13)16/h2-11H,1H3
InChI Key:
YZERKZTZGUTSFJ-UHFFFAOYSA-N
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.062g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.344g/mol
Monoisotopic Mass:
299.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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