5-Fluoro-1-indanone

CAT: 0024-sc-207028Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-207028Size:1 g

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CAS Number

700-84-5

Chemical Information

5-Fluoro-1-indanone

CAS Number	700-84-5
PubChem CID	136537
IUPAC Name	5-fluoro-2,3-dihydroinden-1-one
Molecular Formula	C9H7FO
Molecular Weight	150.15
XLogP	1.8
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	178

SMILES

C1CC(=O)C2=C1C=C(C=C2)F

InChI

InChI=1S/C9H7FO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2

InChIKey

WVPPBVAMKNQXJA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 700-84-5

CID: 136537

Formula: C9H7FO

MW: 150.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	150.15
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	150.048093005
Monoisotopic Mass	150.048093005
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	178
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