UCSF

ZINC02560215

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 13 No

Popular Name: 2-(Trifluoromethoxy)benzyl bromide 2-(Trifluoromethoxy)benzyl bromide

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CAS Numbers: 116827-40-8 , 198649-68-2

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) 3.56 2.25 -3.4 0 1 0 9 255.033 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 98% Matrix Scientific
Warnings Corrosive/Lachrymator Matrix Scientific
Warnings LACHRYMATOR, CORROSIVE Matrix Scientific

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

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