3'-Chloro-2',6'-difluoroacetophenone

CAT: 0127-PC9122-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC9122-01Size:1 g

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CAS Number

177942-50-6

MDL Number

MFCD01631329

Purity

98%

Smiles

CC(=O)c1c(F)ccc(Cl)c1F

Chemical Information

3'-Chloro-2',6'-difluoroacetophenone

CAS Number	177942-50-6
PubChem CID	2773505
IUPAC Name	1-(3-chloro-2,6-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	1
Heavy Atom Count	12
Formal Charge	0
Complexity	186

SMILES

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

InChI

InChI=1S/C8H5ClF2O/c1-4(12)7-6(10)3-2-5(9)8(7)11/h2-3H,1H3

InChIKey

GZGJXQFBPXHWRR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 177942-50-6

CID: 2773505

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	1
Exact Mass	189.9996988
Monoisotopic Mass	189.9996988
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	186
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
PC303008-01	6'-Chloro-2',3'-difluoroacetophenone
PC302972-01	4'-Chloro-2',6'-difluoroacetophenone
PC99243-01	3-Chloro-2,4-difluoroacetophenone
PC1753	2-Chloro-2,2-difluoroacetophenone
PC2577-01	2',6'-Difluoroacetophenone
PC500004	3'-Bromo-2',6'-difluoroacetophenone
PC501794-01	2’-Bromo-3’,6’-difluoroacetophenone
PC1489-01	2-Chloro-2',5'-difluoroacetophenone
PC2574-01	2',3'-Difluoroacetophenone
PC302980-01	4'-Chloro-3',5'-difluoroacetophenone

Catalog	Name
sc-266995	3'-Chloro-2',6'-difluoroacetophenone
433928-01	4'-Chloro-2',6'-difluoroacetophenone
sc-274485	2-Chloro-2,2-difluoroacetophenone
421268-01	2',6'-Difluoroacetophenone
MBS6070780-01	2-Chloro-2',4'-difluoroacetophenone
sc-307348A	2-Chloro-2',5'-difluoroacetophenone
GK3806-5g	2-Chloro-2'',4''-difluoroacetophenone
GAC35285-01	4'-Chloro-3',5'-difluoroacetophenone
FD38713-01	2',3'-Difluoroacetophenone
sc-281315	2'-Chloro-4',5'-difluoroacetophenone