UCSF

ZINC02574889

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 Yes

Popular Name: 3-Bromo-5-fluorobenzoic acid 3-Bromo-5-fluorobenzoic acid

Find On: PubMed — Wikipedia — Google

CAS Number: 176548-70-2

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) 2.75 0.76 -42.25 0 2 -1 40 218.001 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 140 - 142 Enamine Building Blocks
M.P 140-142C Indofine
MP 140-142° Matrix Scientific
MP 140...142 Enamine Building Blocks
Melting_Point 141-145? Alfa-Aesar
Melting_Point 141-145° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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Rings

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

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