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1899-63-4 | 2-Furancarboxaldehyde, 5-nitro-, 2-(1,6-dihydro-6-oxo-4-phenyl-2-pyrimidinyl)hydrazone
CAS No: 1899-63-4 Catalog No: AG002E4U MDL No:
Product Description
Catalog Number:
AG002E4U
Chemical Name:
2-Furancarboxaldehyde, 5-nitro-, 2-(1,6-dihydro-6-oxo-4-phenyl-2-pyrimidinyl)hydrazone
CAS Number:
1899-63-4
Molecular Formula:
C15H11N5O4
Molecular Weight:
325.2789
IUPAC Name:
2-[2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C15H11N5O4/c21-13-8-12(10-4-2-1-3-5-10)17-15(18-13)19-16-9-11-6-7-14(24-11)20(22)23/h1-9H,(H2,17,18,19,21)
InChI Key:
SIWBKZYVFGTOEE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(o1)C=NNc1nc(cc(=O)[nH]1)c1ccccc1
Properties
Complexity:
589
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.081g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
325.284g/mol
Monoisotopic Mass:
325.081g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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