UCSF

ZINC02526500

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 Yes

Popular Name: 2-Chloro-4-iodo-nicotinic acid methyl ester 2-Chloro-4-iodo-nicotinic acid m…

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CAS Numbers: 185041-05-8 , [185041-05-8]

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) 2.51 0.29 -7.45 0 3 0 39 297.479 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 81-85? Alfa-Aesar
Melting_Point 81-85° Alfa-Aesar
MP 84.9-85.4° 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.