UCSF

ZINC04289461

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 17 No

Popular Name: 4-Nitro-2-(trifluoromethyl)acetanilide 4-Nitro-2-(trifluoromethyl)aceta…

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CAS Numbers: 395-68-6 , [395-68-6]

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) 1.94 5.32 -7.55 1 5 0 75 248.16 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 144-146° Matrix Scientific
Melting_Point 146-150? Alfa-Aesar
Melting_Point 146-150° Alfa-Aesar
Purity 97% Matrix Scientific
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.