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1955505-71-1

1955505-71-1 | 4-oxo-1,4-dihydroquinoline-8-sulfonyl chloride

CAS No: 1955505-71-1 Catalog No: AG01BCQS MDL No:MFCD28012278

Product Description

Catalog Number:
AG01BCQS
Chemical Name:
4-oxo-1,4-dihydroquinoline-8-sulfonyl chloride
CAS Number:
1955505-71-1
Molecular Formula:
C9H6ClNO3S
Molecular Weight:
243.6668
MDL Number:
MFCD28012278
IUPAC Name:
4-oxo-1H-quinoline-8-sulfonyl chloride
InChI:
InChI=1S/C9H6ClNO3S/c10-15(13,14)8-3-1-2-6-7(12)4-5-11-9(6)8/h1-5H,(H,11,12)
InChI Key:
GBDMMYKILDPQNA-UHFFFAOYSA-N
SMILES:
O=c1cc[nH]c2c1cccc2S(=O)(=O)Cl

Properties

Complexity:
398  
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:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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