UCSF

ZINC02597193

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2004 15 Yes

Popular Name: ethyl 3-bromo-1H-indole-2-carboxylate ethyl 3-bromo-1H-indole-2-carbox…

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CAS Numbers: 91348-45-7 , 91348-47-7 , [91348-45-7]

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) 3.34 0.14 -6.54 1 3 0 42 268.11 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 149 - 151 KeyOrganics
MP 149-151° Matrix Scientific
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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