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(E) -2-Furaldehyde, (2,4-dinitrophenyl) hydrazone

CAT: 0926-RAA41622-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-RAA41622-01Size:5 mg
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CAS Number
16416-22-1
Smiles
C1=COC (=C1) C=NNC2=C (C=C (C=C2) [N+] (=O) [O-]) [N+] (=O) [O-]
Molecular Formula
C11H8N4O5
Molecular Weight
276.2 g/mol
Controlled
No

Chemical Information

Furfural 2,4-dinitrophenylhydrazone
CAS Number16416-22-1
PubChem CID9604462
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]-2,4-dinitroaniline
Molecular FormulaC11H8N4O5
Molecular Weight276.20
XLogP1.9
Topological Polar Surface Area129
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity391
SMILES
C1=COC(=C1)/C=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C11H8N4O5/c16-14(17)8-3-4-10(11(6-8)15(18)19)13-12-7-9-2-1-5-20-9/h1-7,13H/b12-7+
InChIKey
JLMSXDMAAIAPCZ-KPKJPENVSA-N
Chemical Structure
2D Structure
2D structure of Furfural 2,4-dinitrophenylhydrazone
CAS: 16416-22-1
CID: 9604462
Formula: C11H8N4O5
MW: 276.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight276.20
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass276.04946937
Monoisotopic Mass276.04946937
Topological Polar Surface Area129 Ų
Heavy Atom Count20
Formal Charge0
Complexity391
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