UCSF

ZINC35114735

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 12 Yes

Popular Name: Methyl 4-bromo-2-fluorobenzoate Methyl 4-bromo-2-fluorobenzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 179232-29-2 , [179232-29-2]

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) 2.67 5.79 -6.7 0 2 0 26 233.036 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 59 - 61 Enamine Building Blocks
MP 59...61 Enamine Building Blocks
MP 60-62° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem

Activity (Go SEA)

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