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Home > Nitro Compounds > 292060-90-3
292060-90-3 | Pyridine, 4-[2-[(4-nitrophenyl)thio]ethyl]-
CAS No: 292060-90-3 Catalog No: AG002XOQ MDL No:
Product Description
Catalog Number:
AG002XOQ
Chemical Name:
Pyridine, 4-[2-[(4-nitrophenyl)thio]ethyl]-
CAS Number:
292060-90-3
Molecular Formula:
C13H12N2O2S
Molecular Weight:
260.3116
IUPAC Name:
4-[2-(4-nitrophenyl)sulfanylethyl]pyridine
InChI:
InChI=1S/C13H12N2O2S/c16-15(17)12-1-3-13(4-2-12)18-10-7-11-5-8-14-9-6-11/h1-6,8-9H,7,10H2
InChI Key:
KRYDNUGQCOQTPL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)SCCc1ccncc1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.311g/mol
Monoisotopic Mass:
260.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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