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6-Bromo-2-tetralone

CAT: 0013-GTR19245752-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19245752-01Size:10 g
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Description
6-Bromo-2-tetralone is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
CAS Number
4133-35-1
Smiles
O=C1CC2=C (CC1) C=C (Br) C=C2
Molecular Formula
C10H9BrO
Molecular Weight
225.082
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-Bromo-2-tetralone
CAS Number4133-35-1
PubChem CID2733553
IUPAC Name6-bromo-3,4-dihydro-1H-naphthalen-2-one
Molecular FormulaC10H9BrO
Molecular Weight225.08
XLogP2.3
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity190
SMILES
C1CC2=C(CC1=O)C=CC(=C2)Br
InChI
InChI=1S/C10H9BrO/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1,3,5H,2,4,6H2
InChIKey
BYHKDUFPSJWJDI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Bromo-2-tetralone
CAS: 4133-35-1
CID: 2733553
Formula: C10H9BrO
MW: 225.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight225.08
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass223.98368
Monoisotopic Mass223.98368
Topological Polar Surface Area17.1 Ų
Heavy Atom Count12
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

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