UCSF

ZINC02162166

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 16 No

Popular Name: 1-(4-(tert-Butyl)phenyl)-4-chlorobutan-1-one 1-(4-(tert-Butyl)phenyl)-4-chlor…

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CAS Numbers: 43076-61-5 , [43076-61-5]

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) 4.31 2.7 -7.85 0 1 0 17 238.758 5 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 152-155?/1mm Alfa-Aesar
Boiling_Point 152-155°/1mm Alfa-Aesar
Melting_Point 47-49? Alfa-Aesar
Melting_Point 47-49° Alfa-Aesar
Purity 95% Fluorochem

Activity (Go SEA)

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