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107322-01-0 | isoquinolin-6-sulfonyl chloride
CAS No: 107322-01-0 Catalog No: AG0039CT MDL No:MFCD12406172
Product Description
Catalog Number:
AG0039CT
Chemical Name:
isoquinolin-6-sulfonyl chloride
CAS Number:
107322-01-0
Molecular Formula:
C9H6ClNO2S
Molecular Weight:
227.6674
MDL Number:
MFCD12406172
IUPAC Name:
isoquinoline-6-sulfonyl chloride
InChI:
InChI=1S/C9H6ClNO2S/c10-14(12,13)9-2-1-8-6-11-4-3-7(8)5-9/h1-6H
InChI Key:
KWADYKRPIUHOTO-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)c1ccc2c(c1)ccnc2
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:
2.3
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