8-Fluoro-1-tetralone

CAT: 0127-PC1006776-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1006776-01Size:25 mg

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CAS Number

628731-58-8

MDL Number

MFCD09027687

Purity

97%

Smiles

O=C1CCCC2=C1C (F) =CC=C2

Chemical Information

8-Fluoro-1-tetralone

CAS Number	628731-58-8
PubChem CID	11252188
IUPAC Name	8-fluoro-3,4-dihydro-2H-naphthalen-1-one
Molecular Formula	C10H9FO
Molecular Weight	164.18
XLogP	2.1
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	190

SMILES

C1CC2=C(C(=O)C1)C(=CC=C2)F

InChI

InChI=1S/C10H9FO/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1,3,5H,2,4,6H2

InChIKey

RYMWBQHSBRCBQV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 628731-58-8

CID: 11252188

Formula: C10H9FO

MW: 164.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.18
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	164.063743068
Monoisotopic Mass	164.063743068
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	190
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
277921-01	7-Fluoro-1-tetralone
sc-262941A	8-Amino-1-tetralone
BCA01528-01	8-Methyl-1-tetralone
439979-01	8-Bromo-1-tetralone
277739-01	6-Fluoro-2-tetralone
HY-30051-01	7-Fluoro-2-tetralone
sc-227024	5,8-Dimethoxy-1-tetralone
KIA34649-01	8-Amino-1-tetralone hydrochloride
234901-01	7-Fluoro-1-tetralone 99+% (HPLC)
sc-257018	8-Methoxy-2-tetralone