UCSF

ZINC02382244

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 12 Yes

Popular Name: 3-Chloro-4-fluorophenylacetic acid 3-Chloro-4-fluorophenylacetic acid

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CAS Numbers: 705-79-3 , [705-79-3]

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) 2.13 1.61 -42.44 0 2 -1 40 187.577 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 55-56° Matrix Scientific
Melting_Point 55-58? Alfa-Aesar
Melting_Point 55-58° Alfa-Aesar
Purity 97% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

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