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Home > Quinoline > 2138060-23-6
2138060-23-6 | 1-acetyl-4-methyl-1,2,3,4-tetrahydroquinoline-7-sulfonyl chloride
CAS No: 2138060-23-6 Catalog No: AG01EIYU MDL No:MFCD31559242
Product Description
Catalog Number:
AG01EIYU
Chemical Name:
1-acetyl-4-methyl-1,2,3,4-tetrahydroquinoline-7-sulfonyl chloride
CAS Number:
2138060-23-6
Molecular Formula:
C12H14ClNO3S
Molecular Weight:
287.7625
MDL Number:
MFCD31559242
IUPAC Name:
1-acetyl-4-methyl-3,4-dihydro-2H-quinoline-7-sulfonyl chloride
InChI:
InChI=1S/C12H14ClNO3S/c1-8-5-6-14(9(2)15)12-7-10(18(13,16)17)3-4-11(8)12/h3-4,7-8H,5-6H2,1-2H3
InChI Key:
GCOYUAYUNJEZNS-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCC(c2c1cc(cc2)S(=O)(=O)Cl)C
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.038g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.758g/mol
Monoisotopic Mass:
287.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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