Collunosol (C6H3Cl3O)

Collunosol presents a C6 framework, aromatic rings, halogen substitution (formula C6H3Cl3O, CAS 95-95-4). ChemicalTool Reaction can propose ranked disconnections for Collunosol from the SMILES Oc1cc(Cl)c(Cl)cc1Cl.

Target: Collunosol
CAS: 95-95-4
Formula: C6H3Cl3O
Approx. MW: 197.44
SMILES: Oc1cc(Cl)c(Cl)cc1Cl
PubChem CID: 7271
Approx. carbons: C6

Collunosol structure

Properties

IUPAC name: 2,4,5-trichlorophenol
Common names: 2,4,5-TRICHLOROPHENOL; 95-95-4; Collunosol; Dowicide 2; Phenol, 2,4,5-trichloro-; Preventol I; 2,4,5-TCP; TRICLOFENOL; NCI-C61187; DTXSID4024359
Molecular weight: 197.40
Exact mass: 195.92
InChIKey: LHJGJYXLEPZJPM-UHFFFAOYSA-N
Boiling point: 487 °F at 760 mmHg (NTP, 1992)
Density: 1.678 at 77 °F (NTP, 1992) - Denser than water; will sink

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Collunosol 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Collunosol?

Collunosol has molecular formula C6H3Cl3O. Molecular weight about 197.44 g·mol⁻¹.

What is the CAS number of Collunosol?

The CAS Registry Number for Collunosol is 95-95-4.

Run AI retrosynthesis for Collunosol Target catalog AI tools overview

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Related targets

Similar compounds

Hsdb 6292 Phenachlor (3-bromophenyl)boronic Acid 1-Bromo-2-chloro-3-fluorobenzene 1-Bromo-2-chlorobenzene 1-Bromo-2-Iodobenzene

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References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.