UCSF

ZINC16159648

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2008 15 No

Popular Name: 2,3,4-trifluoro-5-nitrobenzoic acid 2,3,4-trifluoro-5-nitrobenzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 197520-71-1 , [197520-71-1]

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) 1.74 4.9 -35.31 0 5 -1 86 220.082 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 130-132° Oakwood Chemical
melting_point 133 KeyOrganics
Purity 96% Fluorochem

Activity (Go SEA)

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