3-Fluorophenylacetyl chloride

CAT: 0127-PC1582-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-PC1582-01Size:5 g

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CAS Number

458-04-8

Synonyms

2- (3-Fluorophenyl) ethanoyl chloride

MDL Number

MFCD07787556

Purity

97%

Smiles

Fc1cccc(CC(=O)Cl)c1

Chemical Information

2-(3-Fluorophenyl)acetyl chloride

CAS Number	458-04-8
PubChem CID	12751635
IUPAC Name	2-(3-fluorophenyl)acetyl chloride
Molecular Formula	C8H6ClFO
Molecular Weight	172.58
XLogP	2.6
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	149

SMILES

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

InChI

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

InChIKey

SKOMBKMLOHIBTF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 458-04-8

CID: 12751635

Formula: C8H6ClFO

MW: 172.58

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	172.58
XLogP3	2.6
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	149
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
PC1581-01	2-Fluorophenylacetyl chloride
PC9663	4-Fluorophenylacetyl chloride
PC300006	2-Chloro-5-fluorophenylacetyl chloride
OR936433-01	3,3-Dimethylbutyryl chloride
OR1052198-01	3,3'-Disulfanediyldipropionyl chloride
OR1056566-01	3-Isobutoxybenzoyl chloride
PC3710-01	3-Fluorobenzyl chloride
OR923787-01	3-Methoxybenzoyl chloride
OR6674-01	3-Chlorophenacyl chloride
OR2562-01	3-Methylbenzyl chloride

Catalog	Name
276690-01	4-Fluorophenylacetyl chloride
913016	3‐METHYLBENZOYL CHLORIDE (3‐TOLUOYL CHLORIDE)
AR-M04945-01	Mivacurium Chloride Impurity 3 Chloride
509008	ISOVALEROYL CHLORIDE(3‐METHYLBUTANOYL CHLORIDE)
TRC-D461995-10G	3,3-Dimethylacryloyl Chloride
HAA06546	3,3-Dimethylbutyryl Chloride
MBS6035401-01	3,3-Diphenylpropionyl Chloride
AR-F10702-01	3,3-Dichloropropionyl Chloride
EDA09784-01	3,3-Dimethylpentanoyl chloride
TRC-B678155-5G	3-Bromopropionyl Chloride