Ethyl dibromoacetate

CAT: 0024-sc-279142Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-279142Size:5 g

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CAS Number

617-33-4

Chemical Information

Ethyl dibromoacetate

Acetic acid, dibromo-, ethyl ester has been reported in Asparagopsis armata with data available.

CAS Number	617-33-4
PubChem CID	69237
IUPAC Name	ethyl 2,2-dibromoacetate
Molecular Formula	C4H6Br2O2
Molecular Weight	245.90
XLogP	2.2
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	82

SMILES

CCOC(=O)C(Br)Br

InChI

InChI=1S/C4H6Br2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3

InChIKey

NIJGVVHCUXNSLL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 617-33-4

CID: 69237

Formula: C4H6Br2O2

MW: 245.90

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	245.90
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	245.87141
Monoisotopic Mass	243.87345
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	82.1
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
sc-257780	Methyl dibromoacetate
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-287132A	1-Ethyl-3-methylpyridinium Ethyl Sulfate
sc-327319	Ethyl 3-[ethyl (methyl) amino]butanoate
sc-237545	1-Ethyl-3-methylimidazolium ethyl sulfate
sc-294494A	Ethyl (S) - (-) -1-Ethyl-2-pyrrolidinecarboxylate
sc-487106	Ethyl (R) - (+) -1-ethyl-2-pyrrolidinecarboxylate

Catalog	Name
E07270-01	Ethyl dibromoacetate 96%
S-1221	Methyl Dibromoacetate - 1ML
TRC-C262040-1G	tert-Butyl Dibromoacetate
RG-A261769-01	Tert-Butyl 2,2-Dibromoacetate
OR1003496-01	Ethyl ((2-[ethyl (methyl) aminio]ethyl) ) amine
AAA10633-01	Ethyl Laurate (Ethyl Dodecanoate)
TRC-E937355-2.5G	Ethyl Phthalyl Ethyl Glycolate
TRC-E917385-5G	Ethyl Laurate(Ethyl Dodecanoate)
RG-A261999-01	Ethyl Ethyl-D-Prolinate
OR1057866-01	Ethyl ethyl (methyl) carbamate