UCSF

ZINC02512344

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Substance Information

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

Popular Name: 2-Bromo-5-fluorobenzoic acid 2-Bromo-5-fluorobenzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 394-28-5 , [394-28-5]

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) 2.41 0.79 -45.74 0 2 -1 40 218.001 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 151-153° Matrix Scientific
Melting_Point 154-158? Alfa-Aesar
Melting_Point 154-158° Alfa-Aesar
MP 156 TCI
MP 16 - 18 Enamine Building Blocks
MP 16...18 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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