UCSF

ZINC01847579

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 14 Yes

Popular Name: 2-Bromo-4-(trifluoromethyl)benzoic acid 2-Bromo-4-(trifluoromethyl)benzo…

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CAS Numbers: 328-89-2 , [328-89-2]

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) 3.14 2.21 -41.31 0 2 -1 40 268.008 2 ↓

Vendor Notes

Note Type Comments Provided By
mp 120 - 122 MolMall (formerly Molecular Diversity Preservation International)
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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