UCSF

ZINC15442857

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2008 12 Yes

Popular Name: 4-Bromo-2-fluorophenylacetic acid 4-Bromo-2-fluorophenylacetic acid

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CAS Numbers: 114897-92-6 , [114897-92-6]

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) 2.26 5.58 -45.91 0 2 -1 40 232.028 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 118-121° Oakwood Chemical
MP 123-126° Oakwood Chemical
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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