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5-Bromo-6-methoxyquinoline

CAT: 0127-OR78517-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR78517-01Size:100 mg
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CAS Number
36023-01-5
MDL Number
MFCD18452262
Purity
98%
Smiles
COC1=CC=C2C(=C1Br)C=CC=N2

Chemical Information

5-Bromo-6-methoxyquinoline
CAS Number36023-01-5
PubChem CID18414128
IUPAC Name5-bromo-6-methoxyquinoline
Molecular FormulaC10H8BrNO
Molecular Weight238.08
XLogP2.9
Topological Polar Surface Area22.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity176
SMILES
COC1=C(C2=C(C=C1)N=CC=C2)Br
InChI
InChI=1S/C10H8BrNO/c1-13-9-5-4-8-7(10(9)11)3-2-6-12-8/h2-6H,1H3
InChIKey
LDJQZIVTHZTBGV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Bromo-6-methoxyquinoline
CAS: 36023-01-5
CID: 18414128
Formula: C10H8BrNO
MW: 238.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight238.08
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass236.97893
Monoisotopic Mass236.97893
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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