UCSF

ZINC01529153

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 13 No

Popular Name: 6-(Trifluoromethyl)nicotinoyl chloride 6-(Trifluoromethyl)nicotinoyl ch…

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CAS Numbers: 358780-13- , 358780-13-9 , [358780-13-9]

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) 2.12 2.61 -5.37 0 2 0 30 209.554 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 52-54?/2mm Alfa-Aesar
BP 52-54°/2mb Fluorochem
BP 52-54°/2mm Matrix Scientific
Purity 97% Matrix Scientific
Warnings Corrosive/Moisture Sensitive/Lachrymator Matrix Scientific
Warnings IRRITANT, LACHRYMATOR Matrix Scientific

Activity (Go SEA)

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

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