UCSF

ZINC15022235

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 13 Yes

Popular Name: Methyl 2-bromo-5-cyanobenzoate Methyl 2-bromo-5-cyanobenzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1031927-03-3 , [1031927-03-3]

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) 2.26 6.01 -7.6 0 3 0 50 240.056 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 104-106° Oakwood Chemical
Purity 95% Fluorochem

Activity (Go SEA)

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