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748752-50-3 | isoquinoline-8-sulfonyl chloride
CAS No: 748752-50-3 Catalog No: AG01B9FB MDL No:MFCD19200088
Product Description
Catalog Number:
AG01B9FB
Chemical Name:
isoquinoline-8-sulfonyl chloride
CAS Number:
748752-50-3
Molecular Formula:
C9H6ClNO2S
Molecular Weight:
227.6674
MDL Number:
MFCD19200088
IUPAC Name:
isoquinoline-8-sulfonyl chloride
InChI:
InChI=1S/C9H6ClNO2S/c10-14(12,13)9-3-1-2-7-4-5-11-6-8(7)9/h1-6H
InChI Key:
UYZLXCOQEDYFRO-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)c1cccc2c1cncc2
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.981g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.662g/mol
Monoisotopic Mass:
226.981g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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