UCSF

ZINC00388393

Substance Information

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

CAS Numbers: 456-49-5 , [456-49-5]

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) 2.13 3.87 -3.5 0 1 0 9 126.13 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 35? Alfa-Aesar
Melting_Point 35° Alfa-Aesar
BP 158 TCI
Boiling_Point 158-159? Alfa-Aesar
Boiling_Point 158-159° Alfa-Aesar
BP 158°/743mm Matrix Scientific
Purity 95% Fluorochem
Purity 98% Matrix Scientific
Purity 99% Fluorochem
Warnings FLAMMABLE Matrix Scientific

Activity (Go SEA)

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