UCSF

ZINC02574332

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Substance Information

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

Popular Name: 3-(3-Fluorophenyl)propionic acid 3-(3-Fluorophenyl)propionic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 458-45-7 , 458-46-8 , [458-45-7]

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) 2.02 1.86 -45.29 0 2 -1 40 167.159 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 119 / 0.4 TCI
Boiling_Point 125?/10mm Alfa-Aesar
BP 125°/10mm Matrix Scientific
MP 40-42° Matrix Scientific
MP 41 - 43 Enamine Building Blocks
MP 41...43 Enamine Building Blocks
MP 43 TCI
Melting_Point 43-47? Alfa-Aesar
Melting_Point 43-47° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98 % Fluorochem
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Refrigerate Matrix Scientific

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