UCSF

ZINC01847403

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 9 No

CAS Numbers: 455-32-3 , [455-32-3]

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) 2.08 4.32 -4.89 0 1 0 17 124.114 1

Vendor Notes

Note Type Comments Provided By
MP 28° Matrix Scientific
Boiling_Point 159-161? Alfa-Aesar
Boiling_Point 159-161° Alfa-Aesar
BP 160 TCI
Purity 99% Matrix Scientific
Melting_Point ca -28? Alfa-Aesar
Melting_Point ca -28° Alfa-Aesar
Warnings Flammable/Corrosive/Lachrymator Matrix Scientific
Warnings LACHRYMATOR, FLAMMABLE, CORROSIVE Matrix Scientific
_Notes Mild fluorinating agent, J. Amer. Chem. Soc., 84, 2740, 1962 Apollo Scientific

Activity (Go SEA)

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