1- (2,5-Dichlorophenyl) -2,2-difluoroethanone

CAT: 0127-PC1023869-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1023869-01Size:250 mg

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CAS Number

1564615-03-7

MDL Number

MFCD26045050

Purity

97%

Smiles

C1c (cc (c (c1) Cl) C (=O) C (F) F) Cl

Chemical Information

1-(2,5-Dichlorophenyl)-2,2-difluoroethanone

CAS Number	1564615-03-7
PubChem CID	112573978
IUPAC Name	1-(2,5-dichlorophenyl)-2,2-difluoroethanone
Molecular Formula	C8H4Cl2F2O
Molecular Weight	225.02
XLogP	3.7
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	199

SMILES

C1=CC(=C(C=C1Cl)C(=O)C(F)F)Cl

InChI

InChI=1S/C8H4Cl2F2O/c9-4-1-2-6(10)5(3-4)7(13)8(11)12/h1-3,8H

InChIKey

FJMHQBJKZUUATQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1564615-03-7

CID: 112573978

Formula: C8H4Cl2F2O

MW: 225.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	225.02
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	223.9607265
Monoisotopic Mass	223.9607265
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	199
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
PC1009767	1- (3,5-Dichlorophenyl) -2,2-difluoroethanone
PC1022095-01	2-chloro-1- (3,5-dichlorophenyl) -2,2-difluoroethanone
PC1009327-01	1- (2,4-Dichlorophenyl) -2,2-difluoroethanone
PC1013577-01	1- (2,6-Dichlorophenyl) -2,2-difluoroethanone
PC1012126-01	1- (2,3-Dichlorophenyl) -2,2-difluoroethanone
PC1009326-01	2-chloro-1- (2,4-dichlorophenyl) -2,2-difluoroethanone
PC1018206-01	1- (6-Bromo-2,3-dichlorophenyl) -2,2-difluoroethanone
PC1010663-01	2-chloro-1- (3,4-dichlorophenyl) -2,2-difluoroethanone
PC1024929-01	1- (3-Bromo-2,6-dichlorophenyl) -2,2-difluoroethanone
PC1020697-01	1- (3-bromo-2,6-dichlorophenyl) -2-chloro-2,2-difluoroethanone

Catalog	Name
413299-01	2- (2,5-Dichlorophenyl) piperazine
sc-483096	2- (2,5-Dichlorophenyl) ethanol
sc-334792	2- (2,5-dichlorophenyl) oxirane
IQA12770-01	2- (2,5-Dichlorophenyl) pyrrolidine
QMC06754-01	Methyl 2- (2,5-dichlorophenyl) -2-oxoacetate
MCA43653-01	2- (2,5-Dichlorophenyl) propan-2-ol
YZB36667-01	2- (2,5-Dichlorophenyl) -2,2-difluoroacetic acid
448729-01	Ethyl 2- (2,5-dichlorophenyl) -2,2-difluoroacetate
274002-01	(2,5-Dichlorophenyl) ethylamine
D16640-01	2,5-Dichlorophenyl isocyanate