UCSF

ZINC52507805

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 21 Yes

Popular Name: tert-butyl 3-iodo-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate tert-butyl 3-iodo-5-(trifluorome…

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CAS Numbers: 1228183-72-9 , [1228183-72-9]

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) 4.25 9.33 -6.97 0 4 0 44 412.149 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 1.250000000000000e+002 - 1.270000000000000e+002 KeyOrganics
melting_point 125 - 127 KeyOrganics
MP 125-127° Matrix Scientific
Purity >95% 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.