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Home > Nitro Compounds > 88540-87-8
88540-87-8 | Guanidine, [3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-
CAS No: 88540-87-8 Catalog No: AG004DSF MDL No:
Product Description
Catalog Number:
AG004DSF
Chemical Name:
Guanidine, [3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-
CAS Number:
88540-87-8
Molecular Formula:
C9H8N6O3
Molecular Weight:
248.1982
IUPAC Name:
2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]guanidine
InChI:
InChI=1S/C9H8N6O3/c10-8(11)13-9-12-7(14-18-9)5-2-1-3-6(4-5)15(16)17/h1-4H,(H4,10,11,12,13,14)
InChI Key:
QVFBPUZDEARQLY-UHFFFAOYSA-N
SMILES:
NC(=N)Nc1onc(n1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.066g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.202g/mol
Monoisotopic Mass:
248.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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