UCSF

ZINC02560497

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 10 Yes

Popular Name: (R)-1-(3-Fluorophenyl)ethanol (R)-1-(3-Fluorophenyl)ethanol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 126534-32-5 , 126534-33-6 , 402-63-1 , 52059-53-7 , [126534-33-6] , [402-63-1]

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) 1.64 2.82 -4.03 1 1 0 20 140.157 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 104-106?/20mm Alfa-Aesar
Boiling_Point 104-106°/20mm Alfa-Aesar
BP 120-121°/45 Torr Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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

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