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Home > Nitro Compounds > 1417793-51-1
1417793-51-1 | 3-Piperidinemethanol, 1-(6-nitro-2-quinoxalinyl)-
CAS No: 1417793-51-1 Catalog No: AG001H42 MDL No:MFCD22631645
Product Description
Catalog Number:
AG001H42
Chemical Name:
3-Piperidinemethanol, 1-(6-nitro-2-quinoxalinyl)-
CAS Number:
1417793-51-1
Molecular Formula:
C14H16N4O3
Molecular Weight:
288.3018
MDL Number:
MFCD22631645
IUPAC Name:
[1-(6-nitroquinoxalin-2-yl)piperidin-3-yl]methanol
InChI:
InChI=1S/C14H16N4O3/c19-9-10-2-1-5-17(8-10)14-7-15-13-6-11(18(20)21)3-4-12(13)16-14/h3-4,6-7,10,19H,1-2,5,8-9H2
InChI Key:
FZUCTZQAMRKZGV-UHFFFAOYSA-N
SMILES:
OCC1CCCN(C1)c1cnc2c(n1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.122g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.307g/mol
Monoisotopic Mass:
288.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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