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Methyl 2,3-dibromobutanoate

CAT: 0127-OR1047247-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1047247-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5469-24-9
MDL Number
MFCD07366333
Purity
95%
Smiles
CC(Br)C(Br)C(OC)=O

Chemical Information

Methyl 2,3-dibromobutanoate
CAS Number5469-24-9
PubChem CID230405
IUPAC Namemethyl 2,3-dibromobutanoate
Molecular FormulaC5H8Br2O2
Molecular Weight259.92
XLogP2.1
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity105
SMILES
CC(C(C(=O)OC)Br)Br
InChI
InChI=1S/C5H8Br2O2/c1-3(6)4(7)5(8)9-2/h3-4H,1-2H3
InChIKey
HABGKCAIPKECQJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2,3-dibromobutanoate
CAS: 5469-24-9
CID: 230405
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 Count3
Exact Mass259.88706
Monoisotopic Mass257.88910
Topological Polar Surface Area26.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity105
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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