UCSF

ZINC02243110

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2004 10 Yes

Popular Name: 2-Chloro-5-Fluorobenzonitrile 2-Chloro-5-Fluorobenzonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 57381-56-3 , [57381-56-3]

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) 2.46 3.1 -5.03 0 1 0 24 155.559 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 65 TCI
Melting_Point 83-85? Alfa-Aesar
Melting_Point 83-85° Alfa-Aesar
Purity 95% Fluorochem

Activity (Go SEA)

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