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868964-04-9 | 1-ACETYL-1,2,3,4-TETRAHYDRO-QUINOLINE-6-SULFONYL CHLORIDE
CAS No: 868964-04-9 Catalog No: AG00GSQ8 MDL No:MFCD07366466
Product Description
Catalog Number:
AG00GSQ8
Chemical Name:
1-ACETYL-1,2,3,4-TETRAHYDRO-QUINOLINE-6-SULFONYL CHLORIDE
CAS Number:
868964-04-9
Molecular Formula:
C11H12ClNO3S
Molecular Weight:
273.7359
MDL Number:
MFCD07366466
IUPAC Name:
1-acetyl-3,4-dihydro-2H-quinoline-6-sulfonyl chloride
InChI:
InChI=1S/C11H12ClNO3S/c1-8(14)13-6-2-3-9-7-10(17(12,15)16)4-5-11(9)13/h4-5,7H,2-3,6H2,1H3
InChI Key:
ZWAOGPPOUISAGA-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCCc2c1ccc(c2)S(=O)(=O)Cl
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.023g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.731g/mol
Monoisotopic Mass:
273.023g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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