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5,8-Dichloroquinolin-2-amine

CAT: 0926-TDC23344-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-TDC23344-01Size:50 mg
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CAS Number
1343233-44-2
MDL Number
MFCD19678565
Smiles
C1=CC (=NC2=C (C=CC (=C21) Cl) Cl) N
Molecular Formula
C9H6Cl2N2
Molecular Weight
213.06 g/mol
Controlled
No

Chemical Information

5,8-Dichloroquinolin-2-amine
CAS Number1343233-44-2
PubChem CID64209120
IUPAC Name5,8-dichloroquinolin-2-amine
Molecular FormulaC9H6Cl2N2
Molecular Weight213.06
XLogP3.1
Topological Polar Surface Area38.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity188
SMILES
C1=CC(=NC2=C(C=CC(=C21)Cl)Cl)N
InChI
InChI=1S/C9H6Cl2N2/c10-6-2-3-7(11)9-5(6)1-4-8(12)13-9/h1-4H,(H2,12,13)
InChIKey
KQUJYLDKMMCLPE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,8-Dichloroquinolin-2-amine
CAS: 1343233-44-2
CID: 64209120
Formula: C9H6Cl2N2
MW: 213.06
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight213.06
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass211.9908036
Monoisotopic Mass211.9908036
Topological Polar Surface Area38.9 Ų
Heavy Atom Count13
Formal Charge0
Complexity188
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