UCSF

ZINC00164393

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 No

Popular Name: 3-Nitrobenzotrifluoride 3-Nitrobenzotrifluoride

Find On: PubMed — Wikipedia — Google

CAS Numbers: 98-46-4 , [98-46-4]

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) 2.77 6.22 -6.86 0 3 0 46 191.108 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 5? Alfa-Aesar
Melting_Point 5° Alfa-Aesar
Boiling_Point 201-205? Alfa-Aesar
Boiling_Point 201-205° Alfa-Aesar
BP 203 TCI
Purity 95% Fluorochem
Purity 97% APIChem

Activity (Go SEA)

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