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4,6-Dichlorocinnoline

CAT: 0127-OR1041762-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1041762-02Size:250 mg
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CAS Number
68211-13-2
MDL Number
MFCD27996597
Purity
97%
Smiles
ClC1=CC2=C(Cl)C=NN=C2C=C1

Chemical Information

4,6-Dichlorocinnoline
CAS Number68211-13-2
PubChem CID12448075
IUPAC Name4,6-dichlorocinnoline
Molecular FormulaC8H4Cl2N2
Molecular Weight199.03
XLogP2.4
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity165
SMILES
C1=CC2=C(C=C1Cl)C(=CN=N2)Cl
InChI
InChI=1S/C8H4Cl2N2/c9-5-1-2-8-6(3-5)7(10)4-11-12-8/h1-4H
InChIKey
JODYTPOPHDEHOP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,6-Dichlorocinnoline
CAS: 68211-13-2
CID: 12448075
Formula: C8H4Cl2N2
MW: 199.03
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight199.03
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass197.9751535
Monoisotopic Mass197.9751535
Topological Polar Surface Area25.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity165
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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