UCSF

ZINC01699454

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 12 Yes

Popular Name: 4-Fluoromandelic acid 4-Fluoromandelic acid

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CAS Numbers: 32222-45-0 , 395-33-5 , [395-33-5]

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) 0.54 2.7 -42.5 1 3 -1 60 169.131 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 133-138? Alfa-Aesar
Melting_Point 133-138° Alfa-Aesar
MP 136-137° Matrix Scientific
MP 137-139° Oakwood Chemical
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific
Purity ¡Ý99% APIChem

Activity (Go SEA)

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