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Home > Nitro Compounds > 832102-96-2
832102-96-2 | Piperidine, 1-[(5-nitrobenzo[b]thien-2-yl)carbonyl]-4-phenyl-
CAS No: 832102-96-2 Catalog No: AG004UZ9 MDL No:
Product Description
Catalog Number:
AG004UZ9
Chemical Name:
Piperidine, 1-[(5-nitrobenzo[b]thien-2-yl)carbonyl]-4-phenyl-
CAS Number:
832102-96-2
Molecular Formula:
C20H18N2O3S
Molecular Weight:
366.4335
IUPAC Name:
(5-nitro-1-benzothiophen-2-yl)-(4-phenylpiperidin-1-yl)methanone
InChI:
InChI=1S/C20H18N2O3S/c23-20(19-13-16-12-17(22(24)25)6-7-18(16)26-19)21-10-8-15(9-11-21)14-4-2-1-3-5-14/h1-7,12-13,15H,8-11H2
InChI Key:
KKQLJJHKFRREOT-UHFFFAOYSA-N
SMILES:
O=C(c1cc2c(s1)ccc(c2)[N+](=O)[O-])N1CCC(CC1)c1ccccc1
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.104g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.435g/mol
Monoisotopic Mass:
366.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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