UCSF

ZINC00388132

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 11 Yes

Popular Name: methyl 4-fluorobenzoate methyl 4-fluorobenzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 403-33-8 , [403-33-8]

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) 2.27 3.07 -4.97 0 2 0 26 154.14 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 195-197? Alfa-Aesar
Boiling_Point 195-197° Alfa-Aesar
BP 197 TCI
purity 9.500000000000000e+001 Enamine Building Blocks
BP 90-92°/20mm Matrix Scientific
purity 95 Enamine Building Blocks
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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