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89770-29-6 | Quinoline, 6-(methylsulfonyl)-
CAS No: 89770-29-6 Catalog No: AG00877G MDL No:MFCD00092572
Product Description
Catalog Number:
AG00877G
Chemical Name:
Quinoline, 6-(methylsulfonyl)-
CAS Number:
89770-29-6
Molecular Formula:
C10H9NO2S
Molecular Weight:
207.2490
MDL Number:
MFCD00092572
IUPAC Name:
6-methylsulfonylquinoline
InChI:
InChI=1S/C10H9NO2S/c1-14(12,13)9-4-5-10-8(7-9)3-2-6-11-10/h2-7H,1H3
InChI Key:
AUXTUJFKCPIINH-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)c1ccc2c(c1)cccn2
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.247g/mol
Monoisotopic Mass:
207.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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