UCSF

ZINC00056815

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 No

Popular Name: 2-Fluoro-5-nitrobenzotrifluoride 2-Fluoro-5-nitrobenzotrifluoride

Find On: PubMed — Wikipedia — Google

CAS Numbers: 400-74-8 , [400-74-8]

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) 2.88 4.57 -5.7 0 3 0 46 209.098 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 104-105°/20mm Matrix Scientific
Boiling_Point 105-110?/25mm Alfa-Aesar
Boiling_Point 105-110°/25mm Alfa-Aesar
BP 110 / 25 TCI
Purity 98% Fluorochem
Purity 99% Matrix Scientific
Warnings IRRITANT, TOXIC Matrix Scientific
Warnings Toxic/Irritant Matrix Scientific

Activity (Go SEA)

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

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