Bromochloroacetic acid
2-bromo-2-chloroacetic acid
Molecular Identity
Bromochloroacetic acid
2-bromo-2-chloroacetic acid
PubChem CID: 542762
Bromochloroacetic Acid can cause cancer according to The National Toxicology Program.
2D Structure
Properties
C2H2BrClO2
Molecular Formula
173.39
Molecular Weight
g/mol
171.8927
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
64
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Bromochloroacetic acid5589-96-8Acetic acid, bromochloro-Chlorobromoacetic acidAL8MZ37Y51DTXSID4024642acetic acid, 2-bromo-2-chloro-DTXCID604642CHEBI:64206RefChem:570330627-754-92-bromo-2-chloroacetic acidKeratin from Wool,bromo(chloro)acetic acidMFCD00143872
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Bromochloroacetic acid
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