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Home > Nitro Compounds > 192711-36-7
192711-36-7 | Pyridine, 2-(4-nitro-1-octyl-1H-pyrazol-3-yl)-
CAS No: 192711-36-7 Catalog No: AG002G90 MDL No:
Product Description
Catalog Number:
AG002G90
Chemical Name:
Pyridine, 2-(4-nitro-1-octyl-1H-pyrazol-3-yl)-
CAS Number:
192711-36-7
Molecular Formula:
C16H22N4O2
Molecular Weight:
302.3715
IUPAC Name:
2-(4-nitro-1-octylpyrazol-3-yl)pyridine
InChI:
InChI=1S/C16H22N4O2/c1-2-3-4-5-6-9-12-19-13-15(20(21)22)16(18-19)14-10-7-8-11-17-14/h7-8,10-11,13H,2-6,9,12H2,1H3
InChI Key:
PETMYHRXGSAHBI-UHFFFAOYSA-N
SMILES:
CCCCCCCCn1nc(c(c1)[N+](=O)[O-])c1ccccn1
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.174g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.378g/mol
Monoisotopic Mass:
302.174g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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