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Molecule
Furazolidone
CAS: 67-45-8 · C8H7N3O5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 67-45-8
- Molecular Formula
- C8H7N3O5
- Molecular Mass
- 225.16 g/mol
Identifiers
CAS Registry Number
67-45-8
SMILES
O=C1OCCN1N=Cc1ccc([N+](=O)[O-])o1
InChI Key
PLHJDBGFXBMTGZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H7N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-2,5H,3-4H2
Names and Synonyms
- Furazolidone Synonym
- 2-Oxazolidinone, 3-[[(5-nitro-2-furanyl)methylene]amino]- Synonym
- 2-Oxazolidinone, 3-[(5-nitrofurfurylidene)amino]- Synonym
- 3-(5-aci-Nitro-2(5H)-furylidenemethylimino)-2-oxooxazolidinium hydroxide, inner salt Synonym
- 3-[[(5-Nitro-2-furanyl)methylene]amino]-2-oxazolidinone Synonym
- NF 180 Synonym
- Furaxone Synonym
- Furazol Synonym
- Furazolidone Synonym
- Furazon Synonym
- Furozolidine Synonym
- Nifulidone Synonym
- 3-[(5-Nitrofurfurylidene)amino]-2-oxazolidinone Synonym
- N-(5-Nitro-2-furfurylidene)-3-amino-2-oxazolidone Synonym
- Nitrofuroxon Synonym
- Trifurox Synonym
- Furoxone Synonym
- 2-Furanmethanimine, 5-nitro-N-(2-oxo-3-oxazolidinyl)- Synonym
- Giarlam Synonym
- Nicolen Synonym
- Ortazol Synonym
- Roptazol Synonym
- Furoxane Synonym
- Giardil Synonym
- Neftin Synonym
- Medaron Synonym
- Furoxone Swine Mix Synonym
- Furazolidon Synonym
- Diafuron Synonym
- Furoxon Synonym
- Optazol Synonym
- Nitrofurazolidone Synonym
- Furoxal Synonym
- Furaxon Synonym
- Puradin Synonym
- Furidon Synonym
- Furox Synonym
- Tikofuran Synonym
- Furovag Synonym
- NSC 6469 Synonym
- Furazolidinone Synonym
- Foroxone Synonym
- Dependal-M Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 225.16 g/mol | CAS Common Chemistry |
| Canonical SMILES | O=C1OCCN1N=CC=2OC(=CC2)N(=O)=O | CAS Common Chemistry |
| InChI | InChI=1S/C8H7N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-2,5H,3-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PLHJDBGFXBMTGZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 255 °C | CAS Common Chemistry |
| Name | Furazolidone | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 98.17999999999999 Ų | RDKit |
| 98.18 Ų | RDKit | |
| 89.2 Ų | chempirical lib | |
| LogP | 0.9739 | RDKit |
| Molar Refractivity | 51.01040000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 225.038570324 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 225.16 g/mol. Edit any field — others recompute live.
