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Broxyquinoline 250mg

CAT: 0628-A15626-250Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0628-A15626-250Size:250 mg
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CAS Number
521-74-4

Chemical Information

Broxyquinoline

5,7-dibromo-8-quinolinol is an organohalogen compound and a member of quinolines.

CAS Number521-74-4
PubChem CID2453
IUPAC Name5,7-dibromoquinolin-8-ol
Molecular FormulaC9H5Br2NO
Molecular Weight302.95
XLogP3.2
Topological Polar Surface Area33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity190
SMILES
C1=CC2=C(C(=C(C=C2Br)Br)O)N=C1
InChI
InChI=1S/C9H5Br2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
InChIKey
ZDASUJMDVPTNTF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Broxyquinoline
CAS: 521-74-4
CID: 2453
Formula: C9H5Br2NO
MW: 302.95
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight302.95
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass302.87174
Monoisotopic Mass300.87379
Topological Polar Surface Area33.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity190
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