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Home > Quinoline > 2138227-11-7
2138227-11-7 | 1-acetyl-4,4-dimethyl-1,2,3,4-tetrahydroquinoline-6-sulfonyl chloride
CAS No: 2138227-11-7 Catalog No: AG01EIV7 MDL No:MFCD31421864
Product Description
Catalog Number:
AG01EIV7
Chemical Name:
1-acetyl-4,4-dimethyl-1,2,3,4-tetrahydroquinoline-6-sulfonyl chloride
CAS Number:
2138227-11-7
Molecular Formula:
C13H16ClNO3S
Molecular Weight:
301.7890
MDL Number:
MFCD31421864
IUPAC Name:
1-acetyl-4,4-dimethyl-2,3-dihydroquinoline-6-sulfonyl chloride
InChI:
InChI=1S/C13H16ClNO3S/c1-9(16)15-7-6-13(2,3)11-8-10(19(14,17)18)4-5-12(11)15/h4-5,8H,6-7H2,1-3H3
InChI Key:
IADYPNRGHMKCPI-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCC(c2c1ccc(c2)S(=O)(=O)Cl)(C)C
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.054g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.785g/mol
Monoisotopic Mass:
301.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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