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Home > Nitro Compounds > 74239-99-9
74239-99-9 | Piperazine,1-[(5-nitro-3-phenyl-2-benzofuranyl)methyl]-4-phenyl-
CAS No: 74239-99-9 Catalog No: AG005MTB MDL No:
Product Description
Catalog Number:
AG005MTB
Chemical Name:
Piperazine,1-[(5-nitro-3-phenyl-2-benzofuranyl)methyl]-4-phenyl-
CAS Number:
74239-99-9
Molecular Formula:
C25H23N3O3
Molecular Weight:
413.4684
IUPAC Name:
1-[(5-nitro-3-phenyl-1-benzofuran-2-yl)methyl]-4-phenylpiperazine
InChI:
InChI=1S/C25H23N3O3/c29-28(30)21-11-12-23-22(17-21)25(19-7-3-1-4-8-19)24(31-23)18-26-13-15-27(16-14-26)20-9-5-2-6-10-20/h1-12,17H,13-16,18H2
InChI Key:
QZYUPLQZSQBSCL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c(c1ccccc1)c(o2)CN1CCN(CC1)c1ccccc1
Properties
Complexity:
591
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.174g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
413.477g/mol
Monoisotopic Mass:
413.174g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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