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Ethyl 2,3-Dibromopropanoate

CAT: 0572-TRC-E915840-25GSize: 25 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-E915840-25GSize:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3674-13-3
Synonyms
2,3-Dibromopropanoic Acid Ethyl Ester; 2,3-Dibromopropionic Acid Ethyl Ester; Ethyl 2,3-Dibromopropionate; Ethyl alpha,beta-Dibromopropionate; NSC 60552
Hazard Statement
Combustible liquid and vapour; UN number: UN2922; Packing Group: II
Smiles
CCOC(=O)C(Br)CBr
Molecular Formula
C5H8Br2O2
Molecular Weight
259.92
Shipping Conditions
Room Temperature

Chemical Information

Ethyl 2,3-dibromopropionate
CAS Number3674-13-3
PubChem CID97945
IUPAC Nameethyl 2,3-dibromopropanoate
Molecular FormulaC5H8Br2O2
Molecular Weight259.92
XLogP2.1
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity95
SMILES
CCOC(=O)C(CBr)Br
InChI
InChI=1S/C5H8Br2O2/c1-2-9-5(8)4(7)3-6/h4H,2-3H2,1H3
InChIKey
OENICUBCLXKLJQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 2,3-dibromopropionate
CAS: 3674-13-3
CID: 97945
Formula: C5H8Br2O2
MW: 259.92
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight259.92
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass259.88706
Monoisotopic Mass257.88910
Topological Polar Surface Area26.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity95
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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