UCSF

ZINC02560192

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Substance Information

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

Popular Name: 4-Fluoro-3-(trifluoromethyl)cinnamic acid 4-Fluoro-3-(trifluoromethyl)cinn…

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CAS Numbers: 239463-90-2 , 695187-00-9 , [239463-90-2]

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) 2.90 3.95 -45.36 0 2 -1 40 233.14 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 141-144? Alfa-Aesar
Melting_Point 141-144° Alfa-Aesar
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO2000001692A1 IBM Patent Data

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

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