UCSF

ZINC02548567

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 Yes

Popular Name: 2-Ethoxy-6-fluorobenzonitrile 2-Ethoxy-6-fluorobenzonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 119584-73-5 , [119584-73-5]

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) 2.19 3.34 -9.94 0 2 0 33 165.167 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 55-56° Fluorochem
Purity 98% Matrix Scientific
PUBCHEM_PATENT_ID EP0624567A3 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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