UCSF

ZINC02576149

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 13 Yes

Popular Name: 4-tert-Butoxybenzonitrile 4-tert-Butoxybenzonitrile

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CAS Number: 185259-36-3

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) 2.94 3.2 -5.29 0 2 0 33 175.231 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Boiling_Point 95?/0.8mm Alfa-Aesar
Boiling_Point 95°/0.8mm Alfa-Aesar

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