UCSF

ZINC04290168

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 14 No

Popular Name: 2,4,5-Trifluorocinnamic acid 2,4,5-Trifluorocinnamic acid

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CAS Numbers: 247170-17-8 , [247170-17-8]

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) 2.08 3.24 -45.58 0 2 -1 40 201.123 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 184-188? Alfa-Aesar
Melting_Point 184-188° Alfa-Aesar
MP 190-192° Oakwood Chemical
Purity 95% Fluorochem
Warnings Irritant Matrix Scientific

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