UCSF

ZINC02560191

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 4-Fluoro-2-(trifluoromethyl)cinnamic acid 4-Fluoro-2-(trifluoromethyl)cinn…

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CAS Numbers: 243977-21-1 , 280753-26-6 , 654-95-5

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) 2.72 3.86 -47.42 0 2 -1 40 233.14 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 181-183? Alfa-Aesar
Melting_Point 181-183° Alfa-Aesar
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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