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129305-09-5

129305-09-5 | 5-Quinolinesulfonic acid, 8-chloro-

CAS No: 129305-09-5 Catalog No: AG000Z21 MDL No:

Product Description

Catalog Number:
AG000Z21
Chemical Name:
5-Quinolinesulfonic acid, 8-chloro-
CAS Number:
129305-09-5
Molecular Formula:
C9H6ClNO3S
Molecular Weight:
243.6668
IUPAC Name:
8-chloroquinoline-5-sulfonic acid
InChI:
InChI=1S/C9H6ClNO3S/c10-7-3-4-8(15(12,13)14)6-2-1-5-11-9(6)7/h1-5H,(H,12,13,14)
InChI Key:
TXBLHYILYDBBFJ-UHFFFAOYSA-N
SMILES:
Clc1ccc(c2c1nccc2)S(=O)(=O)O

Properties

Complexity:
327  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.976g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
243.661g/mol
Monoisotopic Mass:
242.976g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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