Molecular Identity
Trichloroacetic Acid
2,2,2-trichloroacetic acid
PubChem CID: 6421
Trichloroacetic Acid can cause cancer according to California Labor Code.
2D Structure
Properties
C2HCl3O2
Molecular Formula
163.38
Molecular Weight
g/mol
161.9042
Exact Mass
Da
1.3
XLogP
Drug-like (Lipinski: < 5)
37.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
2
H-Bond Acceptors
83
Complexity
SMILES
Canonical SMILES
SMILES: C(=O)(C(Cl)(Cl)Cl)OIsomeric SMILES
SMILES: C(=O)(C(Cl)(Cl)Cl)OSynonyms(20)
TRICHLOROACETIC ACID76-03-9Aceto-caustinAcetic acid, trichloro-Trichloroethanoic acidTrichloracetic acidKonestaTrichloressigsaeureTrichloroacetate2,2,2-trichloroacetic acidAmchem grass killerAcido tricloroaceticoAcide trichloracetiqueTrichloorazijnzuurTecane
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Trichloroacetic Acid
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