UCSF

ZINC00396111

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 9 Yes

Popular Name: 5-Chloro-2-fluorotoluene 5-Chloro-2-fluorotoluene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 452-66-4 , [452-66-4]

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) 3.16 5.71 -1.94 0 0 0 0 144.576 0 ↓

Vendor Notes

Note Type Comments Provided By
BP 156° Matrix Scientific
Boiling_Point 157-159? Alfa-Aesar
Boiling_Point 157-159° Alfa-Aesar
BP 157-159°/752mm Oakwood Chemical
Purity 99% Matrix Scientific
Warnings FLAMMABLE Matrix Scientific
Purity ¡Ý99% APIChem

Activity (Go SEA)

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

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