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Home > Nitro Compounds > 201141-17-5
201141-17-5 | Guanidine, N''-ethyl-N-nitro-N'-[(tetrahydro-3-furanyl)methyl]-
CAS No: 201141-17-5 Catalog No: AG002D7F MDL No:
Product Description
Catalog Number:
AG002D7F
Chemical Name:
Guanidine, N''-ethyl-N-nitro-N'-[(tetrahydro-3-furanyl)methyl]-
CAS Number:
201141-17-5
Molecular Formula:
C8H16N4O3
Molecular Weight:
216.2376
IUPAC Name:
1-ethyl-3-nitro-2-(oxolan-3-ylmethyl)guanidine
InChI:
InChI=1S/C8H16N4O3/c1-2-9-8(11-12(13)14)10-5-7-3-4-15-6-7/h7H,2-6H2,1H3,(H2,9,10,11)
InChI Key:
GYKVGHGPASBCMD-UHFFFAOYSA-N
SMILES:
CCN=C(N[N+](=O)[O-])NCC1COCC1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.122g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.241g/mol
Monoisotopic Mass:
216.122g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Molecular design of dinotefuran with unique insecticidal properties. | Journal of agricultural and food chemistry 20110413 |
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