4-Fluorophenylacetyl chloride

CAT: 0127-PC9663Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-PC9663Size:5 g

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CAS Number

459-04-1

Synonyms

2- (4-Fluorophenyl) ethanoyl chloride

MDL Number

MFCD00674181

Purity

=95%

Smiles

Fc1ccc(CC(=O)Cl)cc1

Storage Conditions

Store at 2-8°C

Chemical Information

4-Fluorophenylacetyl chloride

CAS Number	459-04-1
PubChem CID	3744988
IUPAC Name	2-(4-fluorophenyl)acetyl chloride
Molecular Formula	C8H6ClFO
Molecular Weight	172.58
XLogP	2.5
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	141

SMILES

C1=CC(=CC=C1CC(=O)Cl)F

InChI

InChI=1S/C8H6ClFO/c9-8(11)5-6-1-3-7(10)4-2-6/h1-4H,5H2

InChIKey

SIOJFYRPBYGHOO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 459-04-1

CID: 3744988

Formula: C8H6ClFO

MW: 172.58

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	172.58
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	172.0091207
Monoisotopic Mass	172.0091207
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	141
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

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