UCSF

ZINC12359234

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 14 Yes

Popular Name: 4-Chloro-3-(trifluoromethoxy)benzonitrile 4-Chloro-3-(trifluoromethoxy)ben…

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CAS Numbers: 886501-50-4 , [886501-50-4]

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) 3.27 4.02 -5.14 0 2 0 33 221.565 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 36-38? Alfa-Aesar
Melting_Point 36-38° Alfa-Aesar
Purity 97% Fluorochem

Activity (Go SEA)

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