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Home > Nitro Compounds > 831203-93-1
831203-93-1 | Piperazine, 1-[(5-nitro-2-furanyl)carbonyl]-4-(2-pyrimidinyl)-
CAS No: 831203-93-1 Catalog No: AG004WBN MDL No:
Product Description
Catalog Number:
AG004WBN
Chemical Name:
Piperazine, 1-[(5-nitro-2-furanyl)carbonyl]-4-(2-pyrimidinyl)-
CAS Number:
831203-93-1
Molecular Formula:
C13H13N5O4
Molecular Weight:
303.2734
IUPAC Name:
(5-nitrofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
InChI:
InChI=1S/C13H13N5O4/c19-12(10-2-3-11(22-10)18(20)21)16-6-8-17(9-7-16)13-14-4-1-5-15-13/h1-5H,6-9H2
InChI Key:
DPLMXBJJIHZAHH-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(o1)[N+](=O)[O-])N1CCN(CC1)c1ncccn1
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.097g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.278g/mol
Monoisotopic Mass:
303.097g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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