UCSF

ZINC14628940

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2008 14 Yes

Popular Name: 2-Bromo-5-(trifluoromethyl)benzoic acid 2-Bromo-5-(trifluoromethyl)benzo…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1483-56-3 , [1483-56-3]

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 5.62 -44.89 0 2 -1 40 268.008 2 ↓

Vendor Notes

Note Type Comments Provided By
mp 117 - 119 MolMall (formerly Molecular Diversity Preservation International)
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US3953595 IBM Patent Data

Activity (Go SEA)

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