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Home > Nitro Compounds > 881587-15-1
881587-15-1 | 8-[(2-Furylmethyl)thio]-5-nitroquinoline
CAS No: 881587-15-1 Catalog No: AG01E9ND MDL No:
Product Description
Catalog Number:
AG01E9ND
Chemical Name:
8-[(2-Furylmethyl)thio]-5-nitroquinoline
CAS Number:
881587-15-1
Molecular Formula:
C14H10N2O3S
Molecular Weight:
286.3058
IUPAC Name:
8-(furan-2-ylmethylsulfanyl)-5-nitroquinoline
InChI:
InChI=1S/C14H10N2O3S/c17-16(18)12-5-6-13(14-11(12)4-1-7-15-14)20-9-10-3-2-8-19-10/h1-8H,9H2
InChI Key:
JEDBMEWJWOSMLN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c2c1cccn2)SCc1ccco1
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.041g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.305g/mol
Monoisotopic Mass:
286.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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