UCSF

ZINC00158699

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 11 Yes

CAS Numbers: , 6298-37-9 , [6298-37-9]

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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) 0.79 0.8 -8.62 2 3 0 52 145.165 0

Vendor Notes

Note Type Comments Provided By
MP 155-160° Oakwood Chemical
melting_point 157 - 159 KeyOrganics
MP 157-159° Matrix Scientific
Mp [°C] 159 - 160 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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