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Home > Nitro Compounds > 878886-85-2
878886-85-2 | Piperidine, 1-[2-(5-nitro-2-thienyl)-1-(2-thienyl)ethenyl]-
CAS No: 878886-85-2 Catalog No: AG004IJI MDL No:
Product Description
Catalog Number:
AG004IJI
Chemical Name:
Piperidine, 1-[2-(5-nitro-2-thienyl)-1-(2-thienyl)ethenyl]-
CAS Number:
878886-85-2
Molecular Formula:
C15H16N2O2S2
Molecular Weight:
320.4297
IUPAC Name:
1-[2-(5-nitrothiophen-2-yl)-1-thiophen-2-ylethenyl]piperidine
InChI:
InChI=1S/C15H16N2O2S2/c18-17(19)15-7-6-12(21-15)11-13(14-5-4-10-20-14)16-8-2-1-3-9-16/h4-7,10-11H,1-3,8-9H2
InChI Key:
BUSQPKSBLYDHMZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(s1)C=C(c1cccs1)N1CCCCC1
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.065g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.425g/mol
Monoisotopic Mass:
320.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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