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2-Chloro-5,7-dimethoxyquinoline

CAT: 0926-EDA24932-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-EDA24932-01Size:50 mg
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CAS Number
79249-32-4
MDL Number
MFCD19678347
Smiles
COC1=CC2=C (C=CC (=N2) Cl) C (=C1) OC
Molecular Formula
C11H10ClNO2
Molecular Weight
223.65 g/mol
Controlled
No

Chemical Information

2-Chloro-5,7-dimethoxyquinoline
CAS Number79249-32-4
PubChem CID10987883
IUPAC Name2-chloro-5,7-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=CC2=C(C=CC(=N2)Cl)C(=C1)OC
InChI
InChI=1S/C11H10ClNO2/c1-14-7-5-9-8(10(6-7)15-2)3-4-11(12)13-9/h3-6H,1-2H3
InChIKey
QXNBZDNWUYWVMZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-5,7-dimethoxyquinoline
CAS: 79249-32-4
CID: 10987883
Formula: C11H10ClNO2
MW: 223.65
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
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

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