UCSF

ZINC01694399

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 12 Yes

Popular Name: Ethyl 2-fluorobenzoate Ethyl 2-fluorobenzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 443-26-5 , [443-26-5]

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) 2.26 2.95 -9.1 0 2 0 26 168.167 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 115°/30mm Matrix Scientific
Boiling_Point 217-220? Alfa-Aesar
Boiling_Point 217-220° Alfa-Aesar
BP 221 TCI
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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