UCSF

ZINC01694398

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 12 Yes

Popular Name: Ethyl 3-chlorobenzoate Ethyl 3-chlorobenzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1128-76-3 , [1128-76-3]

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) 3.14 2.16 -5.82 0 2 0 26 184.622 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 118-120?/13mm Alfa-Aesar
Boiling_Point 118-120°/13mm Alfa-Aesar
Purity 98% Fluorochem

Activity (Go SEA)

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