3'-Fluoroacetophenone

CAT: 0127-PC3370-02Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-PC3370-02Size:25 g

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CAS Number

455-36-7

Synonyms

1- (3-Fluorophenyl) ethan-1-one

MDL Number

MFCD00000338

Purity

97%

Smiles

CC(=O)c1cccc(F)c1

Chemical Information

3-Fluoroacetophenone

CAS Number	455-36-7
PubChem CID	9967
IUPAC Name	1-(3-fluorophenyl)ethanone
Molecular Formula	C8H7FO
Molecular Weight	138.14
XLogP	1.8
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	133

SMILES

CC(=O)C1=CC(=CC=C1)F

InChI

InChI=1S/C8H7FO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3

InChIKey

HCEKGPAHZCYRBZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 455-36-7

CID: 9967

Formula: C8H7FO

MW: 138.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	138.14
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	138.048093005
Monoisotopic Mass	138.048093005
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	133
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
427700-01	3'-Fluoroacetophenone
264521-01	2-Bromo-3'-fluoroacetophenone
sc-262243A	4'-Benzyloxy-3'-fluoroacetophenone
GTR19252671-01	3-Chloro-4-fluoroacetophenone
sc-266997	3'-Chloro-5'-fluoroacetophenone
sc-266994	3'-Chloro-2'-fluoroacetophenone
sc-223575	3'-Bromo-4'-fluoroacetophenone
sc-267844	4'-Chloro-3'-fluoroacetophenone
427673-01	3'-Chloro-4'-fluoroacetophenone
HY-Y1133	2'-Fluoroacetophenone