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Benzaldehyde-2,4-dinitrophenylhydrazone

CAT: 0024-sc-214582Size: 20 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-214582Size:20 mg
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CAS Number
1157-84-2

Chemical Information

Benzaldehyde 2,4-Dinitrophenylhydrazone

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CAS Number1157-84-2
PubChem CID9566364
IUPAC NameN-[(E)-benzylideneamino]-2,4-dinitroaniline
Molecular FormulaC13H10N4O4
Molecular Weight286.24
XLogP2.5
Topological Polar Surface Area116
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity398
SMILES
C1=CC=C(C=C1)/C=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C13H10N4O4/c18-16(19)11-6-7-12(13(8-11)17(20)21)15-14-9-10-4-2-1-3-5-10/h1-9,15H/b14-9+
InChIKey
DZPRPFUXOZTWAJ-NTEUORMPSA-N
Chemical Structure
2D Structure
2D structure of Benzaldehyde 2,4-Dinitrophenylhydrazone
CAS: 1157-84-2
CID: 9566364
Formula: C13H10N4O4
MW: 286.24
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight286.24
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass286.07020481
Monoisotopic Mass286.07020481
Topological Polar Surface Area116 Ų
Heavy Atom Count21
Formal Charge0
Complexity398
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