2-Chloro-4'-fluoroacetophenone

CAT: 0024-sc-230143Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-230143Size:25 g

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CAS Number

456-04-2

Chemical Information

2-Chloro-4'-fluoroacetophenone

structure given in first source

CAS Number	456-04-2
PubChem CID	120248
IUPAC Name	2-chloro-1-(4-fluorophenyl)ethanone
Molecular Formula	C8H6ClFO
Molecular Weight	172.58
XLogP	2.3
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=C1C(=O)CCl)F

InChI

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

InChIKey

UJZWJOQRSMOFMA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 456-04-2

CID: 120248

Formula: C8H6ClFO

MW: 172.58

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	172.58
XLogP3	2.3
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

Catalog	Name
sc-323298	4'-Chloro-2'-fluoroacetophenone
sc-323298A	4'-Chloro-2'-fluoroacetophenone
sc-267844	4'-Chloro-3'-fluoroacetophenone
sc-276577	3'-Chloro-4'-fluoroacetophenone
sc-229996	2-Bromo-3'-chloro-4'-fluoroacetophenone
sc-506957	5'-Chloro-2'-fluoroacetophenone
sc-266994	3'-Chloro-2'-fluoroacetophenone
sc-482256	2'-Chloro-5'-fluoroacetophenone
sc-281316	2'-Chloro-6'-fluoroacetophenone
sc-260324	2'-Bromo-4'-fluoroacetophenone

Catalog	Name
433927-01	4'-Chloro-2'-fluoroacetophenone
421063-01	2'-Chloro-4'-fluoroacetophenone
GTR19252671-01	3-Chloro-4-fluoroacetophenone
PC1818M-01	3'-Chloro-4'-fluoroacetophenone
PC302106-01	4'-Chloro-3'-fluoroacetophenone
415822-01	2-Bromo-3'-chloro-4'-fluoroacetophenone
PC32796-01	4’-Bromo-3’-chloro-2’-fluoroacetophenone
PC905600-01	5’-Bromo-4’-chloro-2’-fluoroacetophenone
PC52205-01	4-Bromo-2-chloro-3-fluoroacetophenone
PC57502-01	2'-Bromo-4'-chloro-5'-fluoroacetophenone