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Home > Nitro Compounds > 89812-84-0
89812-84-0 | Piperidine, 1-[3-(4-nitrophenyl)-1-thioxo-2-propenyl]-
CAS No: 89812-84-0 Catalog No: AG003XWA MDL No:
Product Description
Catalog Number:
AG003XWA
Chemical Name:
Piperidine, 1-[3-(4-nitrophenyl)-1-thioxo-2-propenyl]-
CAS Number:
89812-84-0
Molecular Formula:
C14H16N2O2S
Molecular Weight:
276.3540
IUPAC Name:
3-(4-nitrophenyl)-1-piperidin-1-ylprop-2-ene-1-thione
InChI:
InChI=1S/C14H16N2O2S/c17-16(18)13-7-4-12(5-8-13)6-9-14(19)15-10-2-1-3-11-15/h4-9H,1-3,10-11H2
InChI Key:
JKGUJSHLXCGFPN-UHFFFAOYSA-N
SMILES:
S=C(N1CCCCC1)C=Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.093g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.354g/mol
Monoisotopic Mass:
276.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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