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Chlorodibromoacetic Acid

CAT: 0572-TRC-C371038-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C371038-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5278-95-5
Hazard Statement
Causes severe skin burns and eye damage; UN number: UN3261; Packing Group: II
Smiles
OC(=O)C(Cl)(Br)Br
Molecular Formula
C2 H Br2 Cl O2
Molecular Weight
252.29
InChI
InChI=1S/C2HBr2ClO2/c3-2(4,5)1(6)7/h(H,6,7)
Additionnal Information
IUPAC name: 2,2-dibromo-2-chloroacetic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Dibromochloroacetic acid
CAS Number5278-95-5
PubChem CID115266
IUPAC Name2,2-dibromo-2-chloroacetic acid
Molecular FormulaC2HBr2ClO2
Molecular Weight252.29
XLogP2
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count7
Formal Charge0
Complexity91
SMILES
C(=O)(C(Cl)(Br)Br)O
InChI
InChI=1S/C2HBr2ClO2/c3-2(4,5)1(6)7/h(H,6,7)
InChIKey
UCZDDMGNCJJAHK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dibromochloroacetic acid
CAS: 5278-95-5
CID: 115266
Formula: C2HBr2ClO2
MW: 252.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight252.29
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass251.80113
Monoisotopic Mass249.80318
Topological Polar Surface Area37.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity91.7
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

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