Ethyl chlorofluoroacetate

CAT: 0024-sc-235035Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-235035Size:25 g

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CAS Number

401-56-9

Chemical Information

Acetic acid, 2-chloro-2-fluoro-, ethyl ester

CAS Number	401-56-9
PubChem CID	101668
IUPAC Name	ethyl 2-chloro-2-fluoroacetate
Molecular Formula	C4H6ClFO2
Molecular Weight	140.54
XLogP	1.1
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	86

SMILES

CCOC(=O)C(F)Cl

InChI

InChI=1S/C4H6ClFO2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3

InChIKey

WUHVJSONZHSDFC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 401-56-9

CID: 101668

Formula: C4H6ClFO2

MW: 140.54

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	140.54
XLogP3	1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	140.0040353
Monoisotopic Mass	140.0040353
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	86.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-326217	Benzyl chlorofluoroacetate
sc-331792	Sodium chlorofluoroacetate
sc-331792A	Sodium chlorofluoroacetate
sc-235034	Ethyl chlorodifluoroacetate
sc-486835	Ethyl 2-ethyl-2-methylacetoacetate
sc-353430A	Ethyl 2-ethyl-5-nitronicotinate
sc-307902	(2-Ethoxy-ethyl) -ethyl-amine
sc-353430	Ethyl 2-ethyl-5-nitronicotinate
sc-294494A	Ethyl (S) - (-) -1-Ethyl-2-pyrrolidinecarboxylate
sc-487106	Ethyl (R) - (+) -1-ethyl-2-pyrrolidinecarboxylate

Catalog	Name
PC3180-01	Ethyl chlorofluoroacetate
PC7636-01	Benzyl chlorofluoroacetate
PC5117	Butyl chlorofluoroacetate
OR1003496-01	Ethyl ((2-[ethyl (methyl) aminio]ethyl) ) amine
AAA10633-01	Ethyl Laurate (Ethyl Dodecanoate)
TRC-E937355-2.5G	Ethyl Phthalyl Ethyl Glycolate
RG-A261999-01	Ethyl Ethyl-D-Prolinate
TRC-E917385-5G	Ethyl Laurate(Ethyl Dodecanoate)
OR1057866-01	Ethyl ethyl (methyl) carbamate
105440 2.5	Ethyl Chloroformate (Ethyl Chlorocarbonate)