UCSF

ZINC02516806

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 Yes

CAS Numbers: 22867-74-9 , [22867-74-9]

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) 3.03 0.65 -4.84 1 1 0 15 145.205 1

Vendor Notes

Note Type Comments Provided By
BP [°C] 230 Acros Organics
Boiling_Point 230? Alfa-Aesar
Boiling_Point 230° Alfa-Aesar
Purity 98% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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

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