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Bromochloroacetic Acid

CAT: 0572-TRC-B680535-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B680535-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5589-96-8
Hazard Statement
Causes severe skin burns and eye damage; UN number: UN3265; Packing Group: II
Smiles
OC(=O)C(Cl)Br
Molecular Formula
C2 H2 Br Cl O2
Molecular Weight
173.39
InChI
InChI=1S/C2H2BrClO2/c3-1(4)2(5)6/h1H,(H,5,6)
Additionnal Information
IUPAC name: 2-bromo-2-chloroacetic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Bromochloroacetic Acid

Bromochloroacetic Acid can cause cancer according to The National Toxicology Program.

CAS Number5589-96-8
PubChem CID542762
IUPAC Name2-bromo-2-chloroacetic acid
Molecular FormulaC2H2BrClO2
Molecular Weight173.39
XLogP1.3
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count6
Formal Charge0
Complexity64
SMILES
C(C(=O)O)(Cl)Br
InChI
InChI=1S/C2H2BrClO2/c3-1(4)2(5)6/h1H,(H,5,6)
InChIKey
GEHJBWKLJVFKPS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bromochloroacetic Acid
CAS: 5589-96-8
CID: 542762
Formula: C2H2BrClO2
MW: 173.39
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight173.39
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass171.89267
Monoisotopic Mass171.89267
Topological Polar Surface Area37.3 Ų
Heavy Atom Count6
Formal Charge0
Complexity64.6
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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