UCSF

ZINC16159054

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2008 12 Yes

Popular Name: Methyl 3-bromo-2-fluorobenzoate Methyl 3-bromo-2-fluorobenzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 206551-41-9 , [206551-41-9]

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) 2.65 5.77 -9.46 0 2 0 26 233.036 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 35-37? Alfa-Aesar
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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