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Home > Quinoline > 1391291-94-3
1391291-94-3 | 8-methanesulfonyl-1,2,3,4-tetrahydroquinoline
CAS No: 1391291-94-3 Catalog No: AG01AD6D MDL No:MFCD22536320
Product Description
Catalog Number:
AG01AD6D
Chemical Name:
8-methanesulfonyl-1,2,3,4-tetrahydroquinoline
CAS Number:
1391291-94-3
Molecular Formula:
C10H13NO2S
Molecular Weight:
211.2807
MDL Number:
MFCD22536320
IUPAC Name:
8-methylsulfonyl-1,2,3,4-tetrahydroquinoline
InChI:
InChI=1S/C10H13NO2S/c1-14(12,13)9-6-2-4-8-5-3-7-11-10(8)9/h2,4,6,11H,3,5,7H2,1H3
InChI Key:
UXBQXYDFBJLOBB-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)c1cccc2c1NCCC2
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.279g/mol
Monoisotopic Mass:
211.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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