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88977-76-8 | 2(1H)-Quinolinone, 1-[(phenylsulfonyl)oxy]-
CAS No: 88977-76-8 Catalog No: AG008918 MDL No:
Product Description
Catalog Number:
AG008918
Chemical Name:
2(1H)-Quinolinone, 1-[(phenylsulfonyl)oxy]-
CAS Number:
88977-76-8
Molecular Formula:
C15H11NO4S
Molecular Weight:
301.3171
IUPAC Name:
(2-oxoquinolin-1-yl) benzenesulfonate
InChI:
InChI=1S/C15H11NO4S/c17-15-11-10-12-6-4-5-9-14(12)16(15)20-21(18,19)13-7-2-1-3-8-13/h1-11H
InChI Key:
WOKCBGCPLNXTHC-UHFFFAOYSA-N
SMILES:
O=c1ccc2c(n1OS(=O)(=O)c1ccccc1)cccc2
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.041g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.316g/mol
Monoisotopic Mass:
301.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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