UCSF

ZINC01732026

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 11 Yes

Popular Name: 2-Bromo-3-fluorobenzoic acid 2-Bromo-3-fluorobenzoic acid

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CAS Numbers: 132715-69-6 , N/A

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) 2.39 0.77 -46.64 0 2 -1 40 218.001 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 158-160? Alfa-Aesar
MP 158-160° Matrix Scientific
MP 161-163° Oakwood Chemical
Purity 98% Matrix Scientific
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.