UCSF

ZINC00159322

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 Yes

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

Find On: PubMed — Wikipedia — Google

CAS Numbers: 35450-36-3 , [35450-36-3]

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) 2.56 1.62 -6.7 0 3 0 36 245.072 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 162 / 15 TCI
Boiling_Point 271? Alfa-Aesar
Boiling_Point 271° Alfa-Aesar
Purity 95% Fluorochem

Activity (Go SEA)

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