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Home > Nitro Compounds > 23484-03-9
23484-03-9 | Quinoline, 6-hexyl-4-nitro-, 1-oxide
CAS No: 23484-03-9 Catalog No: AG002ND3 MDL No:
Product Description
Catalog Number:
AG002ND3
Chemical Name:
Quinoline, 6-hexyl-4-nitro-, 1-oxide
CAS Number:
23484-03-9
Molecular Formula:
C15H18N2O3
Molecular Weight:
274.3150
IUPAC Name:
6-hexyl-4-nitro-1-oxidoquinolin-1-ium
InChI:
InChI=1S/C15H18N2O3/c1-2-3-4-5-6-12-7-8-14-13(11-12)15(17(19)20)9-10-16(14)18/h7-11H,2-6H2,1H3
InChI Key:
ISUKJKZJYWDRRK-UHFFFAOYSA-N
SMILES:
CCCCCCc1ccc2c(c1)c(cc[n+]2[O-])[N+](=O)[O-]
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.132g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.32g/mol
Monoisotopic Mass:
274.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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