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Home > Nitro Compounds > 138797-32-7
138797-32-7 | Quinoline, 7-nitro-3-(octyloxy)-
CAS No: 138797-32-7 Catalog No: AG0019KY MDL No:
Product Description
Catalog Number:
AG0019KY
Chemical Name:
Quinoline, 7-nitro-3-(octyloxy)-
CAS Number:
138797-32-7
Molecular Formula:
C17H22N2O3
Molecular Weight:
302.3682
IUPAC Name:
7-nitro-3-octoxyquinoline
InChI:
InChI=1S/C17H22N2O3/c1-2-3-4-5-6-7-10-22-16-11-14-8-9-15(19(20)21)12-17(14)18-13-16/h8-9,11-13H,2-7,10H2,1H3
InChI Key:
IKGUJTQPTMGPHB-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1cnc2c(c1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.163g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.374g/mol
Monoisotopic Mass:
302.163g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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