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8-Bromo-5-methoxyquinoline

CAT: 0127-OR1043125-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1043125-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1312610-18-6
Purity
98%
Smiles
COc1ccc(c2c1cccn2)Br

Chemical Information

8-Bromo-5-methoxyquinoline
CAS Number1312610-18-6
PubChem CID53466420
IUPAC Name8-bromo-5-methoxyquinoline
Molecular FormulaC10H8BrNO
Molecular Weight238.08
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=C2C=CC=NC2=C(C=C1)Br
InChI
InChI=1S/C10H8BrNO/c1-13-9-5-4-8(11)10-7(9)3-2-6-12-10/h2-6H,1H3
InChIKey
BAUAVZWFJILVIQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Bromo-5-methoxyquinoline
CAS: 1312610-18-6
CID: 53466420
Formula: C10H8BrNO
MW: 238.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight238.08
XLogP33.1
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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