UCSF

ZINC02572874

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 Yes

Popular Name: 4'-Hydroxy-3'-(trifluoromethyl)acetophenone 4'-Hydroxy-3'-(trifluoromethyl)a…

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CAS Number: 149105-11-3

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) 2.65 1.98 -9.87 1 2 0 37 204.147 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 172-178° Oakwood Chemical
Melting_Point 174-177? Alfa-Aesar
Melting_Point 174-177° Alfa-Aesar

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

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