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Nifursol (~90%)

CAT: 0572-TRC-N458700-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N458700-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16915-70-1
Synonyms
2-Hydroxy-3,5-dinitrobenzoic acid 2-[(5-nitro-2-furanyl)methylene]hydrazide; 2-Hydroxy-3,5-dinitrobenzoic acid [(5-nitro-2-furanyl)methylene]hydrazide; 3,5-Dinitrosalicylic acid (5-nitrofurfurylidene)hydrazide; Histomon; Nifursol; Salfuride; Sulfuride
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)N\N=C\c2oc(cc2)[N+](=O)[O-]
Molecular Formula
C12 H7 N5 O9
Molecular Weight
365.21
InChI
InChI=1S/C12H7N5O9/c18-11-8(3-6(15(20)21)4-9(11)16(22)23)12(19)14-13-5-7-1-2-10(26-7)17(24)25/h1-5,18H,(H,14,19)/b13-5+
Additionnal Information
IUPAC name: 2-hydroxy-3,5-dinitro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Nifursol

Nifursol is a carbohydrazide, a dinitrophenol and a nitrofuran antibiotic.

CAS Number16915-70-1
PubChem CID9570327
IUPAC Name2-hydroxy-3,5-dinitro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
Molecular FormulaC12H7N5O9
Molecular Weight365.21
XLogP2.2
Topological Polar Surface Area212
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity610
SMILES
C1=C(OC(=C1)[N+](=O)[O-])/C=N/NC(=O)C2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O
InChI
InChI=1S/C12H7N5O9/c18-11-8(3-6(15(20)21)4-9(11)16(22)23)12(19)14-13-5-7-1-2-10(26-7)17(24)25/h1-5,18H,(H,14,19)/b13-5+
InChIKey
XXUXXCZCUGIGPP-WLRTZDKTSA-N
Chemical Structure
2D Structure
2D structure of Nifursol
CAS: 16915-70-1
CID: 9570327
Formula: C12H7N5O9
MW: 365.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight365.21
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass365.02437682
Monoisotopic Mass365.02437682
Topological Polar Surface Area212 Ų
Heavy Atom Count26
Formal Charge0
Complexity610
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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