2-Chloro-2',5'-difluoroacetophenone

CAT: 0024-sc-307348Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-307348Size:5 g

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CAS Number

60468-36-2

Chemical Information

2-Chloro-2',5'-difluoroacetophenone

CAS Number	60468-36-2
PubChem CID	4989978
IUPAC Name	2-chloro-1-(2,5-difluorophenyl)ethanone
Molecular Formula	C8H5ClF2O
Molecular Weight	190.57
XLogP	2.4
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	174

SMILES

C1=CC(=C(C=C1F)C(=O)CCl)F

InChI

InChI=1S/C8H5ClF2O/c9-4-8(12)6-3-5(10)1-2-7(6)11/h1-3H,4H2

InChIKey

HJWDDTDVBUFTCP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 60468-36-2

CID: 4989978

Formula: C8H5ClF2O

MW: 190.57

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	190.57
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	189.9996988
Monoisotopic Mass	189.9996988
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	174
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-281315	2'-Chloro-4',5'-difluoroacetophenone
sc-281437	4'-Chloro-2',5'-difluoroacetophenone
sc-274485	2-Chloro-2,2-difluoroacetophenone
sc-225830	2',5'-Difluoroacetophenone
sc-206425	2-Chloro-2',4'-difluoroacetophenone
sc-266995	3'-Chloro-2',6'-difluoroacetophenone
sc-275199	2,2-Difluoroacetophenone
sc-281318	2',3'-Difluoroacetophenone
sc-238439	2',4'-Difluoroacetophenone
sc-225834	2',6'-Difluoroacetophenone

Catalog	Name
416558-01	2-Chloro-2',5'-difluoroacetophenone
FC31686-01	2-Chloro-2',5'-difluoroacetophenone - 90%
PC8096-01	2'-Chloro-4',5'-difluoroacetophenone
PC1753C	4'-Chloro-2',5'-difluoroacetophenone
PC1753	2-Chloro-2,2-difluoroacetophenone
MBS6070780-01	2-Chloro-2',4'-difluoroacetophenone
GK3806-5g	2-Chloro-2'',4''-difluoroacetophenone
TRC-D445525-10G	2',5'-Difluoroacetophenone
433928-01	4'-Chloro-2',6'-difluoroacetophenone
PC99243-01	3-Chloro-2,4-difluoroacetophenone