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2060061-96-1 | 6-methanesulfonyl-1-methylisoquinoline
CAS No: 2060061-96-1 Catalog No: AG01BQA8 MDL No:MFCD30501181
Product Description
Catalog Number:
AG01BQA8
Chemical Name:
6-methanesulfonyl-1-methylisoquinoline
CAS Number:
2060061-96-1
Molecular Formula:
C11H11NO2S
Molecular Weight:
221.2755
MDL Number:
MFCD30501181
IUPAC Name:
1-methyl-6-methylsulfonylisoquinoline
InChI:
InChI=1S/C11H11NO2S/c1-8-11-4-3-10(15(2,13)14)7-9(11)5-6-12-8/h3-7H,1-2H3
InChI Key:
MDSWIFBPAUCEJI-UHFFFAOYSA-N
SMILES:
Cc1nccc2c1ccc(c2)S(=O)(=O)C
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.274g/mol
Monoisotopic Mass:
221.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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