UCSF

ZINC00388368

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 9 Yes

Popular Name: 3-Chloroanisole 3-Chloroanisole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2845-89-8 , [2845-89-8]

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) 2.65 1.07 -3.05 0 1 0 9 142.585 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 192-194? Alfa-Aesar
Boiling_Point 192-194° Alfa-Aesar
BP 193 TCI
BP 193° Oakwood Chemical
Purity 95% Fluorochem
Purity 99% Fluorochem

Activity (Go SEA)

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