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1624602-30-7 | Quinoline, 7-chloro-4-[4-[(2,4-dinitrophenyl)sulfonyl]-1-piperazinyl]-
CAS No: 1624602-30-7 Catalog No: AG001T5R MDL No:MFCD28502093
Product Description
Catalog Number:
AG001T5R
Chemical Name:
Quinoline, 7-chloro-4-[4-[(2,4-dinitrophenyl)sulfonyl]-1-piperazinyl]-
CAS Number:
1624602-30-7
Molecular Formula:
C19H16ClN5O6S
Molecular Weight:
477.8782
MDL Number:
MFCD28502093
IUPAC Name:
7-chloro-4-[4-(2,4-dinitrophenyl)sulfonylpiperazin-1-yl]quinoline
InChI:
InChI=1S/C19H16ClN5O6S/c20-13-1-3-15-16(11-13)21-6-5-17(15)22-7-9-23(10-8-22)32(30,31)19-4-2-14(24(26)27)12-18(19)25(28)29/h1-6,11-12H,7-10H2
InChI Key:
PDQVZPPIHADUOO-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)nccc2N1CCN(CC1)S(=O)(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
807
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
477.051g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
477.876g/mol
Monoisotopic Mass:
477.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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