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Home > Nitro Compounds > 19105-42-1
19105-42-1 | Quinoline, 2-[4-(5-nitro-2-furanyl)-1,3-butadien-1-yl]-
CAS No: 19105-42-1 Catalog No: AG002F0V MDL No:
Product Description
Catalog Number:
AG002F0V
Chemical Name:
Quinoline, 2-[4-(5-nitro-2-furanyl)-1,3-butadien-1-yl]-
CAS Number:
19105-42-1
Molecular Formula:
C17H12N2O3
Molecular Weight:
292.2888
IUPAC Name:
2-[(1E,3E)-4-(5-nitrofuran-2-yl)buta-1,3-dienyl]quinoline
InChI:
InChI=1S/C17H12N2O3/c20-19(21)17-12-11-15(22-17)7-3-2-6-14-10-9-13-5-1-4-8-16(13)18-14/h1-12H/b6-2+,7-3+
InChI Key:
NUPPLLNRGWABIA-YPCIICBESA-N
SMILES:
[O-][N+](=O)c1ccc(o1)C=CC=Cc1ccc2c(n1)cccc2
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
292.085g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.294g/mol
Monoisotopic Mass:
292.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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