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7-Fluoro-2-tetralone

CAT: 0804-HY-30051-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-30051-01Size:100 mg
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Description
7-Fluoro-2-tetralone is a drug intermediate for synthesis of various active compounds.
CAS Number
29419-15-6
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Drug Intermediate
Related Pathways
Others
Field of Research
Others
Purity
95.0
Smiles
O=C1CC(C=C(F)C=C2)=C2CC1
Molecular Formula
C10H9FO
Molecular Weight
164.18
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

7-Fluoro-1,2,3,4-tetrahydronaphthalen-2-one
CAS Number29419-15-6
PubChem CID5113710
IUPAC Name7-fluoro-3,4-dihydro-1H-naphthalen-2-one
Molecular FormulaC10H9FO
Molecular Weight164.18
XLogP1.7
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity190
SMILES
C1CC2=C(CC1=O)C=C(C=C2)F
InChI
InChI=1S/C10H9FO/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1,3,5H,2,4,6H2
InChIKey
NQMQVBHBOBSOSZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Fluoro-1,2,3,4-tetrahydronaphthalen-2-one
CAS: 29419-15-6
CID: 5113710
Formula: C10H9FO
MW: 164.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight164.18
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass164.063743068
Monoisotopic Mass164.063743068
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