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Home > Nitro Compounds > 1225230-02-3
1225230-02-3 | Quinoline, 2-(heptyloxy)-6-(1-nitroethyl)-
CAS No: 1225230-02-3 Catalog No: AG0017DY MDL No:
Product Description
Catalog Number:
AG0017DY
Chemical Name:
Quinoline, 2-(heptyloxy)-6-(1-nitroethyl)-
CAS Number:
1225230-02-3
Molecular Formula:
C18H24N2O3
Molecular Weight:
316.3948
IUPAC Name:
2-heptoxy-6-(1-nitroethyl)quinoline
InChI:
InChI=1S/C18H24N2O3/c1-3-4-5-6-7-12-23-18-11-9-16-13-15(14(2)20(21)22)8-10-17(16)19-18/h8-11,13-14H,3-7,12H2,1-2H3
InChI Key:
HLILETXVYATOAJ-UHFFFAOYSA-N
SMILES:
CCCCCCCOc1ccc2c(n1)ccc(c2)C([N+](=O)[O-])C
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.179g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.401g/mol
Monoisotopic Mass:
316.179g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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