UCSF

ZINC02558768

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 No

Popular Name: 1-(2-bromoethoxy)-3-(trifluoromethyl)benzene 1-(2-bromoethoxy)-3-(trifluorome…

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CAS Numbers: 18800-39-0 , [18800-39-0]

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) 3.60 2.49 -5.87 0 1 0 9 269.06 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 0 KeyOrganics
BP 62-66°/1mm Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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