UCSF

ZINC02560187

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 16 No

Popular Name: 2-Fluoro-5-(trifluoromethyl)cinnamic acid 2-Fluoro-5-(trifluoromethyl)cinn…

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CAS Numbers: 1413913-80-0 , 247113-91-3

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) 2.72 3.98 -49.02 0 2 -1 40 233.14 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 118-121? Alfa-Aesar
Melting_Point 118-121° Alfa-Aesar
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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

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