UCSF

ZINC02041170

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 13 Yes

Popular Name: 2-tert-Butyl-4-ethylphenol 2-tert-Butyl-4-ethylphenol

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CAS Numbers: 96-70-8 , [96-70-8]

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) 4.47 1.32 -2.86 1 1 0 20 178.275 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 248 TCI
MP 28 - 32 Enamine Building Blocks
MP 28...32 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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