UCSF

ZINC00056366

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 Yes

Popular Name: 4-Methoxy-3-(trifluoromethyl)aniline 4-Methoxy-3-(trifluoromethyl)ani…

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CAS Numbers: 393-15-7 , [393-15-7]

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) 1.89 2.75 -5.97 2 2 0 35 191.152 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 112?/18mm Alfa-Aesar
Boiling_Point 112°/18mm Alfa-Aesar
BP 112°C/18mm Fluorochem
MP 28-29° Oakwood Chemical
MP 28-29°C Fluorochem
Melting_Point 57-61? Alfa-Aesar
Melting_Point 57-61° Alfa-Aesar
MP 58-59° Matrix Scientific
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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