UCSF

ZINC55161645

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 11 Yes

Popular Name: 4-Chloro-tert-butylbenzene 4-Chloro-tert-butylbenzene

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CAS Numbers: 3972-56-3 , 4830-93-7 , [3972-56-3]

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) 4.32 7.33 -1.55 0 0 0 0 168.667 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 216 TCI
Purity 95% Fluorochem

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

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