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2,3-Dibromopropanoic Acid

CAT: 0572-TRC-D426495-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D426495-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
600-05-5
Hazard Statement
No Data Available; UN number: UN3261; Packing Group: II
Smiles
OC(=O)C(Br)CBr
Molecular Formula
C3 H4 Br2 O2
Molecular Weight
231.87
InChI
InChI=1S/C3H4Br2O2/c4-1-2(5)3(6)7/h2H,1H2,(H,6,7)
Additionnal Information
IUPAC name: 2,3-dibromopropanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2,3-Dibromopropionic acid
CAS Number600-05-5
PubChem CID11746
IUPAC Name2,3-dibromopropanoic acid
Molecular FormulaC3H4Br2O2
Molecular Weight231.87
XLogP1.4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity73
SMILES
C(C(C(=O)O)Br)Br
InChI
InChI=1S/C3H4Br2O2/c4-1-2(5)3(6)7/h2H,1H2,(H,6,7)
InChIKey
ZMYAKSMZTVWUJB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Dibromopropionic acid
CAS: 600-05-5
CID: 11746
Formula: C3H4Br2O2
MW: 231.87
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight231.87
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass231.85576
Monoisotopic Mass229.85780
Topological Polar Surface Area37.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity73.3
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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