UCSF

ZINC00157334

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 Yes

Popular Name: 3',4'-Dichloropropiophenone 3',4'-Dichloropropiophenone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3946-29-0 , 6582-42-9 , [6582-42-9]

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) 3.62 1.43 -7.31 0 1 0 17 203.068 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 136-140?/18mm Alfa-Aesar
Boiling_Point 136-140°/18mm Alfa-Aesar
BP 247 TCI
Melting_Point 44-46? Alfa-Aesar
Melting_Point 44-46° Alfa-Aesar
MP 46 TCI

Activity (Go SEA)

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

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