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2,5-Dichloroterephthalonitrile

CAT: 0572-TRC-D437353-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D437353-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1897-43-4
Hazard Statement
No Data Available
Smiles
Clc1cc(C#N)c(Cl)cc1C#N
Molecular Formula
C8 H2 Cl2 N2
Molecular Weight
197.021
InChI
InChI=1S/C8H2Cl2N2/c9-7-1-5(3-11)8(10)2-6(7)4-12/h1-2H
Additionnal Information
IUPAC name: 2,5-dichlorobenzene-1,4-dicarbonitrile
Shipping Conditions
Room Temperature

Chemical Information

1,4-Benzenedicarbonitrile, 2,5-dichloro-
CAS Number1897-43-4
PubChem CID121191
IUPAC Name2,5-dichlorobenzene-1,4-dicarbonitrile
Molecular FormulaC8H2Cl2N2
Molecular Weight197.02
XLogP2.6
Topological Polar Surface Area47.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity231
SMILES
C1=C(C(=CC(=C1Cl)C#N)Cl)C#N
InChI
InChI=1S/C8H2Cl2N2/c9-7-1-5(3-11)8(10)2-6(7)4-12/h1-2H
InChIKey
UCRQGBRIGDKUAM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4-Benzenedicarbonitrile, 2,5-dichloro-
CAS: 1897-43-4
CID: 121191
Formula: C8H2Cl2N2
MW: 197.02
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight197.02
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass195.9595035
Monoisotopic Mass195.9595035
Topological Polar Surface Area47.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity231
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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CatalogName
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sc-4741092,2′:5′,2′′:5′′,2′′′-Quaterthiophene
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