UCSF

ZINC00167051

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 Yes

Popular Name: 2-(Methylamino)benzotrifluoride 2-(Methylamino)benzotrifluoride

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CAS Numbers: 14925-10-1 , 845866-58-2 , [14925-10-1]

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) 2.64 1.9 -3.35 1 1 0 12 175.153 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 140-142° Fluorochem
Boiling_Point 177? Alfa-Aesar
Boiling_Point 177° Alfa-Aesar
BP 67-69°/20mm Matrix Scientific
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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