UCSF

ZINC00153626

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 16 No

Popular Name: 3-(Trifluoromethoxy)cinnamic acid 3-(Trifluoromethoxy)cinnamic acid

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CAS Numbers: 168833-80-5 , 175675-63-5 , [168833-80-5] , [175675-63-5]

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) 2.85 2.63 -46.3 0 3 -1 49 231.149 4 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 92-95? Alfa-Aesar
MP 92-95° Matrix Scientific
MP 95 TCI
Purity 96% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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