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4-Bromo-5,7-dimethoxyquinoline

CAT: 0127-OR1072822-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1072822-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1514254-31-9
MDL Number
MFCD26597709
Purity
95%
Smiles
COC1=CC(OC)=C2C(Br)=CC=NC2=C1

Chemical Information

4-Bromo-5,7-dimethoxyquinoline
CAS Number1514254-31-9
PubChem CID83527173
IUPAC Name4-bromo-5,7-dimethoxyquinoline
Molecular FormulaC11H10BrNO2
Molecular Weight268.11
XLogP2.8
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=NC=CC(=C2C(=C1)OC)Br
InChI
InChI=1S/C11H10BrNO2/c1-14-7-5-9-11(10(6-7)15-2)8(12)3-4-13-9/h3-6H,1-2H3
InChIKey
KBYGCTIMXXVMMP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Bromo-5,7-dimethoxyquinoline
CAS: 1514254-31-9
CID: 83527173
Formula: C11H10BrNO2
MW: 268.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight268.11
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass266.98949
Monoisotopic Mass266.98949
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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