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Bromoacetic acid

CAT: 0024-sc-210962ASize: 500 gDry Ice: NoHazardous: No
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CAT#:0024-sc-210962ASize:500 g
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CAS Number
79-08-3

Chemical Information

Bromoacetic Acid

Bromoacetic acid appears as colorless crystals. Melting point 51 °C. Density 1.93 g / cm3. Corrosive to metals and tissue. Poisonous by ingestion. Used to cause drop of citrus fruit in harvesting.

CAS Number79-08-3
PubChem CID6227
IUPAC Name2-bromoacetic acid
Molecular FormulaC2H3BrO2
Molecular Weight138.95
XLogP0.4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count5
Formal Charge0
Complexity42
SMILES
C(C(=O)O)Br
InChI
InChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)
InChIKey
KDPAWGWELVVRCH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bromoacetic Acid
CAS: 79-08-3
CID: 6227
Formula: C2H3BrO2
MW: 138.95
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight138.95
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass137.93164
Monoisotopic Mass137.93164
Topological Polar Surface Area37.3 Ų
Heavy Atom Count5
Formal Charge0
Complexity42.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes