UCSF

ZINC03860257

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 17 No

Popular Name: 1-Chloroanthraquinone 1-Chloroanthraquinone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 82-44-0 , [82-44-0]

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) 4.30 1.26 -8.07 0 2 0 34 242.661 0 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 157 - 162 Acros Organics
Melting_Point 158-162? Alfa-Aesar
Melting_Point 158-162° Alfa-Aesar
MP 164 TCI
Purity 95% Fluorochem
Purity 97% APIChem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.