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Acetone 2,4-Dinitrophenylhydrazone

CAT: 0572-TRC-A163850-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-A163850-1GSize:1 g
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CAS Number
1567-89-1
Synonyms
Acetone-2,4-dinitrophenylhydrazone
Hazard Statement
Flammable solid; UN number: UN1325; Packing Group: III
Purity
>95% (HPLC)
Smiles
CC(=NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C
Molecular Formula
C9 H10 N4 O4
Molecular Weight
238.2
InChI
InChI=1S/C9H10N4O4/c1-6(2)10-11-8-4-3-7(12(14)15)5-9(8)13(16)17/h3-5,11H,1-2H3
Additionnal Information
IUPAC name: 2,4-dinitro-N-(propan-2-ylideneamino)aniline
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-Propanone, 2-(2,4-dinitrophenyl)hydrazone
CAS Number1567-89-1
PubChem CID74069
IUPAC Name2,4-dinitro-N-(propan-2-ylideneamino)aniline
Molecular FormulaC9H10N4O4
Molecular Weight238.20
XLogP3
Topological Polar Surface Area116
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity329
SMILES
CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C
InChI
InChI=1S/C9H10N4O4/c1-6(2)10-11-8-4-3-7(12(14)15)5-9(8)13(16)17/h3-5,11H,1-2H3
InChIKey
YGIXYAIGWMAGIB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Propanone, 2-(2,4-dinitrophenyl)hydrazone
CAS: 1567-89-1
CID: 74069
Formula: C9H10N4O4
MW: 238.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight238.20
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass238.07020481
Monoisotopic Mass238.07020481
Topological Polar Surface Area116 Ų
Heavy Atom Count17
Formal Charge0
Complexity329
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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