UCSF

ZINC21992134

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 14 No

Popular Name: 4-tert-Butyl-1-chloro-2-nitrobenzene 4-tert-Butyl-1-chloro-2-nitroben…

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CAS Numbers: 58574-05-3 , [58574-05-3]

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) 4.21 7.87 -6.63 0 3 0 46 213.664 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 90% Fluorochem
Purity 90.0£¥£¨GC) APIChem
Purity 95% Fluorochem

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