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Home > Nitro Compounds > 69147-04-2
69147-04-2 | Piperazine, 1-methyl-4-[(5-nitro-2-furanyl)carbonyl]-
CAS No: 69147-04-2 Catalog No: AG005L1B MDL No:MFCD00434509
Product Description
Catalog Number:
AG005L1B
Chemical Name:
Piperazine, 1-methyl-4-[(5-nitro-2-furanyl)carbonyl]-
CAS Number:
69147-04-2
Molecular Formula:
C10H13N3O4
Molecular Weight:
239.2279
MDL Number:
MFCD00434509
IUPAC Name:
(4-methylpiperazin-1-yl)-(5-nitrofuran-2-yl)methanone
InChI:
InChI=1S/C10H13N3O4/c1-11-4-6-12(7-5-11)10(14)8-2-3-9(17-8)13(15)16/h2-3H,4-7H2,1H3
InChI Key:
DXXMFCDKGQUJPJ-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)C(=O)c1ccc(o1)[N+](=O)[O-]
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.091g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.231g/mol
Monoisotopic Mass:
239.091g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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