UCSF

ZINC02540355

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 16 No

Popular Name: 2-Methoxy-4-methyl-5-nitrobenzotrifluoride 2-Methoxy-4-methyl-5-nitrobenzot…

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CAS Numbers: 933673-45-1 , [933673-45-1]

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) 3.15 6.06 -7.52 0 4 0 55 235.161 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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