UCSF

ZINC00031312

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2005 12 Yes

Popular Name: 3,5-Dibromo-4-methylbenzoic acid 3,5-Dibromo-4-methylbenzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 67973-32-4 , [67973-32-4]

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) 3.77 -0.37 -43.79 0 2 -1 40 292.934 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Melting_Point ca 242? Alfa-Aesar
Melting_Point ca 242° Alfa-Aesar
PUBCHEM_PATENT_ID WO2000001692A1 IBM Patent Data

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