2-Chloro-4-fluorophenyl acetate

CAT: 0127-PC31208Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-PC31208Size:1 Each

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CAS Number

301653-18-9

Synonyms

1-Acetoxy-2-chloro-4-fluorobenzene

MDL Number

MFCD01565966

Purity

=95%

Smiles

CC(=O)Oc1ccc(F)cc1Cl

Chemical Information

2-Chloro-4-fluorophenyl acetate

CAS Number	301653-18-9
PubChem CID	2779534
IUPAC Name	(2-chloro-4-fluorophenyl) acetate
Molecular Formula	C8H6ClFO2
Molecular Weight	188.58
XLogP	2.1
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	174

SMILES

CC(=O)OC1=C(C=C(C=C1)F)Cl

InChI

InChI=1S/C8H6ClFO2/c1-5(11)12-8-3-2-6(10)4-7(8)9/h2-4H,1H3

InChIKey

CTWQBKXPINCJIX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 301653-18-9

CID: 2779534

Formula: C8H6ClFO2

MW: 188.58

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	188.58
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	188.0040353
Monoisotopic Mass	188.0040353
Topological Polar Surface Area	26.3 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
PC1013735-01	2-Bromo-4-chloro-5-fluorophenyl acetate
PC1004827-01	Methyl 2- (4-chloro-3-fluorophenyl) acetate
PC510288	Ethyl 2- (3-Chloro-4-fluorophenyl) acetate
PC103411-01	Methyl 2- (3-chloro-4-fluorophenyl) acetate
PC430597-01	Ethyl chloro[ (4-fluorophenyl) hydrazono]acetate
PC300846	Ethyl chloro[ (2-fluorophenyl) hydrazono]acetate
PC10102	Ethyl (2-chloro-6-fluorophenyl) acetate
PC1002155-01	Methyl 2- (2-chloro-6-fluorophenyl) acetate
PC100301-01	Methyl 2- (2-chloro-5-fluorophenyl) acetate
PC8623-01	Ethyl [ (3-chloro-4-fluorophenyl) amino]acetate

Catalog	Name
LRB27329-01	Methyl 2-chloro-2- (4-fluorophenyl) acetate
GLC50482-01	Ethyl 2-chloro-2- (3-chloro-4-fluorophenyl) acetate
TEC61279-01	Methyl 2-chloro-2- (3-chloro-4-fluorophenyl) acetate
sc-506730	Ethyl chloro[ (4-fluorophenyl) hydrazono]acetate
PFC32619-01	Methyl 2-bromo-2- (2-chloro-4-fluorophenyl) acetate
WTB90726-01	Ethyl 2-[ (3-chloro-4-fluorophenyl) sulfanyl]acetate
QDA05551-01	Methyl 2-chloro-2- (2-fluorophenyl) acetate
ZZB61603-01	Methyl 2-chloro-2- (3-fluorophenyl) acetate
sc-263125A	Ethyl [ (3-chloro-4-fluorophenyl) amino]acetate
sc-232727	4-Fluorophenyl acetate