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Home > Nitro Compounds > 332388-44-0
332388-44-0 | 1-[1-(3-Nitro-phenyl)-1H-tetrazol-5-ylmethyl]-piperidine
CAS No: 332388-44-0 Catalog No: AG01EVB5 MDL No:
Product Description
Catalog Number:
AG01EVB5
Chemical Name:
1-[1-(3-Nitro-phenyl)-1H-tetrazol-5-ylmethyl]-piperidine
CAS Number:
332388-44-0
Molecular Formula:
C13H16N6O2
Molecular Weight:
288.3051
IUPAC Name:
1-[[1-(3-nitrophenyl)tetrazol-5-yl]methyl]piperidine
InChI:
InChI=1S/C13H16N6O2/c20-19(21)12-6-4-5-11(9-12)18-13(14-15-16-18)10-17-7-2-1-3-8-17/h4-6,9H,1-3,7-8,10H2
InChI Key:
MIMIBEIPNCGTMI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)n1nnnc1CN1CCCCC1
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.133g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.311g/mol
Monoisotopic Mass:
288.133g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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