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2,4-Dichloroquinoline

CAT: 0572-TRC-D436225-25GSize: 25 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D436225-25GSize:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
703-61-7
Synonyms
2,4-Dichlorochinoline; 2,4-Dichloroquinoline ;
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
Clc1cc(Cl)c2ccccc2n1
Molecular Formula
C9H5Cl2N
Molecular Weight
198.05
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2,4-Dichloroquinoline
CAS Number703-61-7
PubChem CID607503
IUPAC Name2,4-dichloroquinoline
Molecular FormulaC9H5Cl2N
Molecular Weight198.05
XLogP3.8
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity163
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)Cl)Cl
InChI
InChI=1S/C9H5Cl2N/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5H
InChIKey
QNBJYUUUYZVIJP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Dichloroquinoline
CAS: 703-61-7
CID: 607503
Formula: C9H5Cl2N
MW: 198.05
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight198.05
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass196.9799046
Monoisotopic Mass196.9799046
Topological Polar Surface Area12.9 Ų
Heavy Atom Count12
Formal Charge0
Complexity163
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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