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4-Chloro-6-ethylquinoline

CAT: 0926-NHA75877-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-NHA75877-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
188758-77-2
MDL Number
MFCD09787734
Smiles
CCC1=CC2=C (C=CN=C2C=C1) Cl
Molecular Formula
C11H10ClN
Molecular Weight
191.65 g/mol
Controlled
No

Chemical Information

4-Chloro-6-ethylquinoline
CAS Number188758-77-2
PubChem CID10487965
IUPAC Name4-chloro-6-ethylquinoline
Molecular FormulaC11H10ClN
Molecular Weight191.65
XLogP3.6
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity171
SMILES
CCC1=CC2=C(C=CN=C2C=C1)Cl
InChI
InChI=1S/C11H10ClN/c1-2-8-3-4-11-9(7-8)10(12)5-6-13-11/h3-7H,2H2,1H3
InChIKey
VJTORLKSKVWEGQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chloro-6-ethylquinoline
CAS: 188758-77-2
CID: 10487965
Formula: C11H10ClN
MW: 191.65
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight191.65
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass191.0501770
Monoisotopic Mass191.0501770
Topological Polar Surface Area12.9 Ų
Heavy Atom Count13
Formal Charge0
Complexity171
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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