UCSF

ZINC00409263

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 12 Yes

Popular Name: Ethyl 3-fluorobenzoate Ethyl 3-fluorobenzoate

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CAS Numbers: 451-02-5 , [451-02-5]

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) 2.62 3.04 -6.42 0 2 0 26 168.167 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 34 TCI
Boiling_Point 208? Alfa-Aesar
Boiling_Point 208° Alfa-Aesar
BP 209 TCI
BP 209° Oakwood Chemical
BP 94-95°/16 mm Hg Matrix Scientific
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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