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30831-92-6 | Quinoline, 1,2-dihydro-1-(methylsulfonyl)-
CAS No: 30831-92-6 Catalog No: AG0031FU MDL No:MFCD01685545
Product Description
Catalog Number:
AG0031FU
Chemical Name:
Quinoline, 1,2-dihydro-1-(methylsulfonyl)-
CAS Number:
30831-92-6
Molecular Formula:
C10H11NO2S
Molecular Weight:
209.2648
MDL Number:
MFCD01685545
IUPAC Name:
1-methylsulfonyl-2H-quinoline
InChI:
InChI=1S/C10H11NO2S/c1-14(12,13)11-8-4-6-9-5-2-3-7-10(9)11/h2-7H,8H2,1H3
InChI Key:
IESYQTXPSQWIGA-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)N1CC=Cc2c1cccc2
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.263g/mol
Monoisotopic Mass:
209.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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