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1,4-Dichloro-2,5-dinitrobenzene

CAT: 0926-SAA48825Size: 1000 mgDry Ice: NoHazardous: No
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CAT#:0926-SAA48825Size:1000 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17488-25-4
Smiles
C1=C (C (=CC (=C1Cl) [N+] (=O) [O-]) Cl) [N+] (=O) [O-]
Molecular Formula
C6H2Cl2N2O4
Molecular Weight
236.99 g/mol
Controlled
No

Chemical Information

1,4-Dichloro-2,5-dinitrobenzene
CAS Number17488-25-4
PubChem CID15304159
IUPAC Name1,4-dichloro-2,5-dinitrobenzene
Molecular FormulaC6H2Cl2N2O4
Molecular Weight236.99
XLogP2.7
Topological Polar Surface Area91.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity225
SMILES
C1=C(C(=CC(=C1Cl)[N+](=O)[O-])Cl)[N+](=O)[O-]
InChI
InChI=1S/C6H2Cl2N2O4/c7-3-1-5(9(11)12)4(8)2-6(3)10(13)14/h1-2H
InChIKey
QONKIWFMDAVKEU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4-Dichloro-2,5-dinitrobenzene
CAS: 17488-25-4
CID: 15304159
Formula: C6H2Cl2N2O4
MW: 236.99
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight236.99
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass235.9391619
Monoisotopic Mass235.9391619
Topological Polar Surface Area91.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity225
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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