UCSF

ZINC00404163

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 11 Yes

Popular Name: 2-Fluoro-5-iodobenzoic acid 2-Fluoro-5-iodobenzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 124700-41-0 , [124700-41-0]

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) 2.68 0.6 -49.18 0 2 -1 40 265.001 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 154 - 156 Enamine Building Blocks
MP 154...156 Enamine Building Blocks
mp 162 - 164 MolMall (formerly Molecular Diversity Preservation International)
Melting_Point 162-165? Alfa-Aesar
Melting_Point 162-165° Alfa-Aesar
MP 164-168° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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