UCSF

ZINC00128980

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 17 Yes

Popular Name: 2-(4-fluorophenoxy)nicotinic acid 2-(4-fluorophenoxy)nicotinic acid

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CAS Numbers: 54629-13-9 , [54629-13-9]

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) 2.48 0.8 -53.68 0 4 -1 62 232.19 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 182-185? Alfa-Aesar
Melting_Point 182-185° Alfa-Aesar
Mp [°C] 187 - 189 Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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