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Home > Nitro Compounds > 78205-35-3
78205-35-3 | 6,7-DIHYDRO-3-(5-NITRO-2-FURANYL)-5H-PYRROLO(2,1-C)-1,2,4-TRIAZOLE
CAS No: 78205-35-3 Catalog No: AG0054P7 MDL No:
Product Description
Catalog Number:
AG0054P7
Chemical Name:
6,7-DIHYDRO-3-(5-NITRO-2-FURANYL)-5H-PYRROLO(2,1-C)-1,2,4-TRIAZOLE
CAS Number:
78205-35-3
Molecular Formula:
C9H8N4O3
Molecular Weight:
220.1848
IUPAC Name:
3-(5-nitrofuran-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
InChI:
InChI=1S/C9H8N4O3/c14-13(15)8-4-3-6(16-8)9-11-10-7-2-1-5-12(7)9/h3-4H,1-2,5H2
InChI Key:
NULGNYCXFOPXNE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(o1)c1nnc2n1CCC2
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.06g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.188g/mol
Monoisotopic Mass:
220.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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