UCSF

ZINC01602066

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 13 Yes

Popular Name: 4-(4-Fluorophenyl)butanoic acid 4-(4-Fluorophenyl)butanoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 149437-76-3 , 589-06-0 , [589-06-0]

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) 2.31 1.98 -45.86 0 2 -1 40 181.186 4 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 44-46? Alfa-Aesar
Melting_Point 44-46° Alfa-Aesar
MP 45-47° Matrix Scientific
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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