UCSF

ZINC12359334

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 13 No

Popular Name: 4-Bromo-2-(trifluoromethyl)benzaldehyde 4-Bromo-2-(trifluoromethyl)benza…

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CAS Numbers: 211796-64-4 , 861928-27-0 , [861928-27-0]

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) 3.36 2.8 -9.55 0 1 0 17 253.017 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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

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