6-Fluoro-2-tetralone

CAT: 0127-PC902713-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-PC902713-01Size:100 mg

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CAS Number

29419-14-5

MDL Number

MFCD02684435

Purity

99%

Smiles

Fc1ccc2CC (=O) CCc2c1

Chemical Information

6-Fluoro-1,2,3,4-tetrahydronaphthalen-2-one

CAS Number	29419-14-5
PubChem CID	5044385
IUPAC Name	6-fluoro-3,4-dihydro-1H-naphthalen-2-one
Molecular Formula	C10H9FO
Molecular Weight	164.18
XLogP	1.7
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(CC1=O)C=CC(=C2)F

InChI

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

InChIKey

QMXOEISLPMFMBQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 29419-14-5

CID: 5044385

Formula: C10H9FO

MW: 164.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.18
XLogP3	1.7
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
PC201285-01	6-Fluoro-1-tetralone
PC902738-01	7-Fluoro-2-tetralone
OR92422-01	6,8-Dichloro-2-tetralone
OR85426-01	6,7-Dimethoxyl-2-tetralone
PC102532-01	6,7-difluoro-2-tetralone
OR88716-01	6,7-Dichloro-2-tetralone
OR943451-01	6-Methoxy-2-phenyl-tetralone
PC1006776-01	8-Fluoro-1-tetralone
OR94717-01	6-Methoxy-2-methyl-1-tetralone
OR30471	6-Bromo-2-tetralone bisulphite adduct