UCSF

ZINC04362889

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2005 12 Yes

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

Find On: PubMed — Wikipedia — Google

CAS Numbers: 653-92-9 , [653-92-9]

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) 2.67 2.33 -5.33 0 2 0 26 233.036 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 75-78°/1mm Matrix Scientific
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific
melting_point Oil KeyOrganics

Activity (Go SEA)

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