UCSF

ZINC34364935

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 15 Yes

Popular Name: 1-(3-Chloro-4-(trifluoromethoxy)phenyl)ethanone 1-(3-Chloro-4-(trifluoromethoxy)…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 129604-27-9 , [129604-27-9]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.41 5.35 -7.14 0 2 0 26 238.592 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0365913A2; EP0365913B1; EP0365914A2; EP0365914B1; US5104879; US5142092 IBM Patent Data

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