UCSF

ZINC16158139

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2008 14 No

Popular Name: 2-(Trifluoromethoxy)nitrobenzene 2-(Trifluoromethoxy)nitrobenzene

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CAS Numbers: 1644-88-8 , [1644-88-8]

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) 2.82 5.72 -9.27 0 4 0 55 207.107 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

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

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