UCSF

ZINC00397929

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 12 Yes

Popular Name: Ethyl 4-chlorobenzoate Ethyl 4-chlorobenzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 7335-27-5 , [7335-27-5]

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 2.16 -4.38 0 2 0 26 184.622 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 237-239? Alfa-Aesar
Boiling_Point 237-239° Alfa-Aesar
BP 238 TCI
Purity 95% Fluorochem
Purity 97% Fluorochem

Activity (Go SEA)

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