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80045-69-8 | (4-toluoyl-3-nitro)piperazine
CAS No: 80045-69-8 Catalog No: AG00GJ8Y MDL No:
Product Description
Catalog Number:
AG00GJ8Y
Chemical Name:
(4-toluoyl-3-nitro)piperazine
CAS Number:
80045-69-8
IUPAC Name:
(4-methyl-3-nitrophenyl)-piperazin-1-ylmethanone
InChI:
InChI=1S/C12H15N3O3/c1-9-2-3-10(8-11(9)15(17)18)12(16)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
InChI Key:
KRXLHSGWNOLBTF-UHFFFAOYSA-N
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.27g/mol
Monoisotopic Mass:
249.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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