Ethyl bromofluoroacetate

CAT: 0024-sc-252798DSize: 1 KgDry Ice: NoHazardous: No

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CAT#:0024-sc-252798DSize:1 Kg

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CAS Number

401-55-8

Chemical Information

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

CAS Number	401-55-8
PubChem CID	2733407
IUPAC Name	ethyl 2-bromo-2-fluoroacetate
Molecular Formula	C4H6BrFO2
Molecular Weight	184.99
XLogP	1.3
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)Br

InChI

InChI=1S/C4H6BrFO2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3

InChIKey

ULNDTPIRBQGESN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 401-55-8

CID: 2733407

Formula: C4H6BrFO2

MW: 184.99

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.99
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	183.95352
Monoisotopic Mass	183.95352
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-311538A	Sodium bromofluoroacetate
sc-311538	Sodium bromofluoroacetate
sc-257498	Ethyl bromodifluoroacetate
sc-257498A	Ethyl bromodifluoroacetate
sc-353430A	Ethyl 2-ethyl-5-nitronicotinate
sc-486835	Ethyl 2-ethyl-2-methylacetoacetate
sc-307902	(2-Ethoxy-ethyl) -ethyl-amine
sc-353430	Ethyl 2-ethyl-5-nitronicotinate
sc-499036	2-Ethyl-2-phenylglycine ethyl ester
sc-396348	Ethyl (2- (4-sulfamoylphenyl) ethyl) carbamate

Catalog	Name
449596-01	Ethyl bromofluoroacetate
237704-01	Ethyl Bromofluoroacetate 98+% (GC)
PC3375	Sodium bromofluoroacetate
OR1003496-01	Ethyl ((2-[ethyl (methyl) aminio]ethyl) ) amine
449671-01	Ethyl Laurate (Ethyl Dodecanoate)
105440 25	Ethyl Chloroformate (Ethyl Chlorocarbonate)
106-33-2	Ethyl dodecanoate (Ethyl laurate)
MBS6052231-01	Ethyl Thiooxamate (Ethyl Aminothioxoacetate)
TRC-E937355-250MG	Ethyl Phthalyl Ethyl Glycolate
TRC-E917385-5G	Ethyl Laurate(Ethyl Dodecanoate)