UCSF

ZINC08403210

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Vendors

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) 1.92 5.85 -42.77 0 3 -1 49 185.586 3

Vendor Notes

Note Type Comments Provided By
Melting_Point 156-161? Alfa-Aesar
Melting_Point 156-161° Alfa-Aesar
MP 157 - 159 Enamine Building Blocks
MP 157...159 Enamine Building Blocks
MP 158 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% APIChem
Purity 98% Fluorochem
Mp [°C] >156 Acros Organics
H phrase H302: Harmful if swallowed Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P280: Wear protective gloves/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/eye protection/face protection; P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
Patent Database Links US2005282706; US2006160847; US2007244007; US2008188371; US2008220973; WO2006009937 ChEBI
Hazard XN: Harmful Acros Organics

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