UCSF

ZINC00153873

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 No

Popular Name: 2-Methylsulfonyl-1-(3-trifluoromethylphenyl)ethanone 2-Methylsulfonyl-1-(3-trifluorom…

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CAS Numbers: 128306-96-7 , [128306-96-7]

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) 1.73 -0.08 -25.33 0 3 0 51 266.24 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 89 - 91 KeyOrganics
MP 92-94° Matrix Scientific
Purity 98% Fluorochem
Warnings Irritant Matrix Scientific

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

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