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5-Nitro-2-furaldoxime

CAT: 0572-TRC-N493860-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-N493860-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
555-15-7
Synonyms
2-Furancarboxaldehyde, 5-nitro-, oxime; 2-Furaldehyde, 5-nitro-, oxime (6CI,7CI,8CI); 5-Nitro-2-furaldehyde oxime; 5-Nitro-2-furaldoxime; 5-Nitro-2-furancarboxaldehyde oxime; 5-Nitrofurfural oxime; 5-Nitrofurfuraldehyde oxime; Nifuroxime
Hazard Statement
Harmful if swallowed.
Smiles
ON=Cc1oc(cc1)[N+](=O)[O-]
Molecular Formula
C5 H4 N2 O4
Molecular Weight
156.1
InChI
InChI=1S/C5H4N2O4/c8-6-3-4-1-2-5(11-4)7(9)10/h1-3,8H
Additionnal Information
IUPAC name: N-[(5-nitrofuran-2-yl)methylidene]hydroxylamine
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

5-Nitro-2-furaldoxime

See also: 5-Nitro-2-furaldehyde oxime (annotation moved to).

CAS Number555-15-7
PubChem CID6478035
IUPAC Name(NE)-N-[(5-nitrofuran-2-yl)methylidene]hydroxylamine
Molecular FormulaC5H4N2O4
Molecular Weight156.10
XLogP0.3
Topological Polar Surface Area91.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity176
SMILES
C1=C(OC(=C1)[N+](=O)[O-])/C=N/O
InChI
InChI=1S/C5H4N2O4/c8-6-3-4-1-2-5(11-4)7(9)10/h1-3,8H/b6-3+
InChIKey
PTBKFATYSVLSSD-ZZXKWVIFSA-N
Chemical Structure
2D Structure
2D structure of 5-Nitro-2-furaldoxime
CAS: 555-15-7
CID: 6478035
Formula: C5H4N2O4
MW: 156.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight156.10
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass156.01710661
Monoisotopic Mass156.01710661
Topological Polar Surface Area91.6 Ų
Heavy Atom Count11
Formal Charge0
Complexity176
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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