UCSF

ZINC20045590

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 15 Yes

Popular Name: 1-(2-chloro-6-fluorobenzyl)piperazine 1-(2-chloro-6-fluorobenzyl)piper…

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CAS Numbers: 1261232-20-5 , 215655-20-2 , N/A , [215655-20-2]

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) 1.78 3.83 -38.67 2 2 1 20 229.706 2 ↓
Hi High (pH 8-9.5) 1.78 2.42 -4.12 1 2 0 15 228.698 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 142-145? Alfa-Aesar
Melting_Point 142-145° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
BP 99/0.26mm Oakwood Chemical
BP 99/0.3mbar Fluorochem
BP 99°/0.26mm Oakwood Chemical
PUBCHEM_PATENT_ID WO1997044334A2 IBM Patent Data

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