UCSF

ZINC04265140

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 15 Yes

Popular Name: 3-Fluoro-5-(trifluoromethyl)phenylacetic acid 3-Fluoro-5-(trifluoromethyl)phen…

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CAS Numbers: 195447-79-1 , 239087-12-8 , [195447-79-1]

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) 2.35 3.95 -41.64 0 2 -1 40 221.129 3 ↓
Hi High (pH 8-9.5) 5.39 15.44 -53.62 3 4 1 59 454.638 12 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 109-112? Alfa-Aesar
Melting_Point 109-112° Alfa-Aesar
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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