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Home > Nitro Compounds > 77129-71-6
77129-71-6 | Piperidine, 1-[2-(3-nitrophenyl)-1-thioxoethyl]-
CAS No: 77129-71-6 Catalog No: AG005DY4 MDL No:
Product Description
Catalog Number:
AG005DY4
Chemical Name:
Piperidine, 1-[2-(3-nitrophenyl)-1-thioxoethyl]-
CAS Number:
77129-71-6
Molecular Formula:
C13H16N2O2S
Molecular Weight:
264.3433
IUPAC Name:
2-(3-nitrophenyl)-1-piperidin-1-ylethanethione
InChI:
InChI=1S/C13H16N2O2S/c16-15(17)12-6-4-5-11(9-12)10-13(18)14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,10H2
InChI Key:
CKJRDRYGBSSQQX-UHFFFAOYSA-N
SMILES:
S=C(N1CCCCC1)Cc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.343g/mol
Monoisotopic Mass:
264.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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