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1240526-05-9 | 7-methanesulfonyl-1,2,3,4-tetrahydroquinoline
CAS No: 1240526-05-9 Catalog No: AG01A8X1 MDL No:MFCD16547575
Product Description
Catalog Number:
AG01A8X1
Chemical Name:
7-methanesulfonyl-1,2,3,4-tetrahydroquinoline
CAS Number:
1240526-05-9
Molecular Formula:
C10H13NO2S
Molecular Weight:
211.2807
MDL Number:
MFCD16547575
IUPAC Name:
7-methylsulfonyl-1,2,3,4-tetrahydroquinoline
InChI:
InChI=1S/C10H13NO2S/c1-14(12,13)9-5-4-8-3-2-6-11-10(8)7-9/h4-5,7,11H,2-3,6H2,1H3
InChI Key:
JIRLKZNBXVTGIF-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)c1ccc2c(c1)NCCC2
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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