UCSF

ZINC00165691

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

Popular Name: 3,5-Bis(trifluoromethyl)anisole 3,5-Bis(trifluoromethyl)anisole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 349-60-0 , [349-60-0]

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) 3.71 5.56 -2.94 0 1 0 9 244.134 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 158-160? Alfa-Aesar
BP 158-160° Matrix Scientific
Purity 97% Fluorochem
PUBCHEM_PATENT_ID EP0850926A2; EP0850926A3; EP0930296A1; US5886035; US5985920; US6057336; WO1999018074A1; WO2000059874A1 IBM Patent Data
Warnings FLAMMABLE Matrix Scientific

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.