UCSF

ZINC14989357

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 13 Yes

Popular Name: Methyl 4-bromo-2,6-difluorobenzoate Methyl 4-bromo-2,6-difluorobenzoate

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CAS Numbers: 773134-11-5 , [773134-11-5]

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) 2.76 5.91 -5.66 0 2 0 26 251.026 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 41-43? Alfa-Aesar
Melting_Point 41-43° Alfa-Aesar
Purity 95% Matrix Scientific
Purity 96% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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