UCSF

ZINC02529865

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 Yes

Popular Name: 3-Bromo-5-(trifluoromethyl)benzoic acid 3-Bromo-5-(trifluoromethyl)benzo…

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CAS Numbers: 328-67-6 , [328-67-6]

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) 3.48 5.74 -41.34 0 2 -1 40 268.008 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 131-134° Oakwood Chemical
mp 133 - 135 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

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