UCSF

ZINC00393902

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 10 Yes

Popular Name: 4-Fluorophenetole 4-Fluorophenetole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 459-26-7 , 59-26-7 , [459-26-7]

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) 2.53 1.97 -3.17 0 1 0 9 140.157 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 8° Matrix Scientific
MP 9 TCI
BP 173 TCI
BP 173° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO2000017157A1 IBM Patent Data

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