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Home > Nitro Compounds > 88757-62-4
88757-62-4 | Propanenitrile, 2-[(5-nitro-8-quinolinyl)oxy]-
CAS No: 88757-62-4 Catalog No: AG004CHZ MDL No:
Product Description
Catalog Number:
AG004CHZ
Chemical Name:
Propanenitrile, 2-[(5-nitro-8-quinolinyl)oxy]-
CAS Number:
88757-62-4
Molecular Formula:
C12H9N3O3
Molecular Weight:
243.2182
IUPAC Name:
2-(5-nitroquinolin-8-yl)oxypropanenitrile
InChI:
InChI=1S/C12H9N3O3/c1-8(7-13)18-11-5-4-10(15(16)17)9-3-2-6-14-12(9)11/h2-6,8H,1H3
InChI Key:
JBMMORIKDLIJDG-UHFFFAOYSA-N
SMILES:
N#CC(Oc1ccc(c2c1nccc2)[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:
243.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.222g/mol
Monoisotopic Mass:
243.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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