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Puradin

CAS: 67-45-8 | C8H7N3O5

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 67-45-8
Molecular Formula: C8H7N3O5
Molecular Weight: 225.16 g/mol

Names and Synonyms:

Puradin
Furidon
Furox
Furazolidone
2-Oxazolidinone, 3-[[(5-nitro-2-furanyl)methylene]amino]-
2-Oxazolidinone, 3-[(5-nitrofurfurylidene)amino]-
3-(5-aci-Nitro-2(5H)-furylidenemethylimino)-2-oxooxazolidinium hydroxide, inner salt
3-[[(5-Nitro-2-furanyl)methylene]amino]-2-oxazolidinone
NF 180
Furaxone
Furazol
Furazolidone
Furazon
Furozolidine
Nifulidone
3-[(5-Nitrofurfurylidene)amino]-2-oxazolidinone
N-(5-Nitro-2-furfurylidene)-3-amino-2-oxazolidone
Nitrofuroxon
Trifurox
Furoxone
2-Furanmethanimine, 5-nitro-N-(2-oxo-3-oxazolidinyl)-
Giarlam
Nicolen
Ortazol
Roptazol
Furoxane
Giardil
Neftin
Medaron
Furoxone Swine Mix
Furazolidon
Diafuron
Furoxon
Optazol
Nitrofurazolidone
Furoxal
Furaxon
Tikofuran
Furovag
NSC 6469
Furazolidinone
Foroxone
Dependal-M

Identifiers:

SMILES:
O=C1OCCN1N=Cc1ccc([N+](=O)[O-])o1
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

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
molecular_mass 225.16 g/mol Legacy Database
cas-canonical-smile O=C1OCCN1N=CC=2OC(=CC2)N(=O)=O None Legacy Database
cas-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 None Legacy Database
cas-inchi-key InChIKey=PLHJDBGFXBMTGZ-UHFFFAOYSA-N None Legacy Database
cas-melting-point 255 °C None Legacy Database
cas-name Furazolidone None Legacy Database
LogP 0.9739 RDKit

Molecular

Property Value Source
Molecular Weight 225.16 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 225.038570324 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 16 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 6 count RDKit
Hydrogen Bond Donors 0 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 3 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 1 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 98.17999999999999 Ų RDKit

Molar

Property Value Source
Molar Refractivity 51.01040000000001 RDKit

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