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3-Bromoquinoline

CAT: 0572-TRC-B686875-25GSize: 25 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B686875-25GSize:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5332-24-1
Hazard Statement
No Data Available
Smiles
Brc1cnc2ccccc2c1
Molecular Formula
C9 H6 Br N
Molecular Weight
208.05
InChI
InChI=1S/C9H6BrN/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H
Additionnal Information
IUPAC name: 3-bromoquinoline
Shipping Conditions
Room Temperature

Chemical Information

3-Bromoquinoline
CAS Number5332-24-1
PubChem CID21413
IUPAC Name3-bromoquinoline
Molecular FormulaC9H6BrN
Molecular Weight208.05
XLogP3.2
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity138
SMILES
C1=CC=C2C(=C1)C=C(C=N2)Br
InChI
InChI=1S/C9H6BrN/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H
InChIKey
ZGIKWINFUGEQEO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Bromoquinoline
CAS: 5332-24-1
CID: 21413
Formula: C9H6BrN
MW: 208.05
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight208.05
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass206.96836
Monoisotopic Mass206.96836
Topological Polar Surface Area12.9 Ų
Heavy Atom Count11
Formal Charge0
Complexity138
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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