UCSF

ZINC16159326

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 2-Fluoro-3-nitrobenzotrifluoride 2-Fluoro-3-nitrobenzotrifluoride

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CAS Numbers: 61324-97-8 , [61324-97-8]

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) 2.86 6.17 -10.84 0 3 0 46 209.098 2 ↓
Hi High (pH 8-9.5) 1.90 6.17 -45.25 5 7 1 107 440.564 5 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

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