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2-Chloro-3-methoxyquinoline

CAT: 0926-MFA47013-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-MFA47013-01Size:100 mg
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CAS Number
137470-13-4
MDL Number
MFCD22394281
Smiles
COC1=CC2=CC=CC=C2N=C1Cl
Molecular Formula
C10H8ClNO
Molecular Weight
193.63 g/mol
Controlled
No

Chemical Information

2-Chloro-3-methoxyquinoline
CAS Number137470-13-4
PubChem CID15105543
IUPAC Name2-chloro-3-methoxyquinoline
Molecular FormulaC10H8ClNO
Molecular Weight193.63
XLogP3.1
Topological Polar Surface Area22.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity176
SMILES
COC1=CC2=CC=CC=C2N=C1Cl
InChI
InChI=1S/C10H8ClNO/c1-13-9-6-7-4-2-3-5-8(7)12-10(9)11/h2-6H,1H3
InChIKey
ASFQNJGPOSEULR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-3-methoxyquinoline
CAS: 137470-13-4
CID: 15105543
Formula: C10H8ClNO
MW: 193.63
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight193.63
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass193.0294416
Monoisotopic Mass193.0294416
Topological Polar Surface Area22.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity176
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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