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2-chloro-6,7-dimethoxyquinoline

CAT: 0926-TCA23622-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-TCA23622-01Size:100 mg
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CAS Number
68236-22-6
MDL Number
MFCD17977136
Smiles
COC1=C (C=C2C (=C1) C=CC (=N2) Cl) OC
Molecular Formula
C11H10ClNO2
Molecular Weight
223.66 g/mol
Controlled
No

Chemical Information

2-Chloro-6,7-dimethoxyquinoline
CAS Number68236-22-6
PubChem CID12415560
IUPAC Name2-chloro-6,7-dimethoxyquinoline
Molecular FormulaC11H10ClNO2
Molecular Weight223.65
XLogP3.1
Topological Polar Surface Area31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity215
SMILES
COC1=C(C=C2C(=C1)C=CC(=N2)Cl)OC
InChI
InChI=1S/C11H10ClNO2/c1-14-9-5-7-3-4-11(12)13-8(7)6-10(9)15-2/h3-6H,1-2H3
InChIKey
UJSZVZXINMWJKC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-6,7-dimethoxyquinoline
CAS: 68236-22-6
CID: 12415560
Formula: C11H10ClNO2
MW: 223.65
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight223.65
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass223.0400063
Monoisotopic Mass223.0400063
Topological Polar Surface Area31.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity215
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