UCSF

ZINC08698535

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2007 15 No

Popular Name: Ethyl 3-fluoro-4-nitrobenzoate Ethyl 3-fluoro-4-nitrobenzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 914347-91-4 , [914347-91-4]

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) 2.54 3.47 -8.36 0 5 0 72 213.164 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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