UCSF

ZINC00559407

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 13 No

Popular Name: Ethyl 4-(bromomethyl)benzoate Ethyl 4-(bromomethyl)benzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 26496-94-6 , [26496-94-6]

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) 3.19 1.73 -6.17 0 2 0 26 243.1 4 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 145?/5mm Alfa-Aesar
Boiling_Point 145°/5mm Alfa-Aesar
Melting_Point 28-33? Alfa-Aesar
Melting_Point 28-33° Alfa-Aesar
Purity 95% Fluorochem

Activity (Go SEA)

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