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181468-88-2 | 8-Quinolinamine, 6-[[2-(1-methylethyl)phenyl]sulfonyl]-5-nitro-
CAS No: 181468-88-2 Catalog No: AG0022WM MDL No:
Product Description
Catalog Number:
AG0022WM
Chemical Name:
8-Quinolinamine, 6-[[2-(1-methylethyl)phenyl]sulfonyl]-5-nitro-
CAS Number:
181468-88-2
Molecular Formula:
C18H17N3O4S
Molecular Weight:
371.4103
IUPAC Name:
5-nitro-6-(2-propan-2-ylphenyl)sulfonylquinolin-8-amine
InChI:
InChI=1S/C18H17N3O4S/c1-11(2)12-6-3-4-8-15(12)26(24,25)16-10-14(19)17-13(7-5-9-20-17)18(16)21(22)23/h3-11H,19H2,1-2H3
InChI Key:
YUVNGBZROXQYQH-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1S(=O)(=O)c1cc(N)c2c(c1[N+](=O)[O-])cccn2)C
Properties
Complexity:
613
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.094g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
371.411g/mol
Monoisotopic Mass:
371.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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