UCSF

ZINC02600087

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2004 13 Yes

Popular Name: 4-Fluoro-2-(trifluoromethyl)benzyl alcohol 4-Fluoro-2-(trifluoromethyl)benz…

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CAS Numbers: 220227-29-2 , [220227-29-2]

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 1.56 -3.39 1 1 0 20 194.127 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 55-57? Alfa-Aesar
Melting_Point 55-57° Alfa-Aesar
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO2000018723A1; WO2000018724A1 IBM Patent Data

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

No pre-computed analogs available. Try a structural similarity search.