UCSF

ZINC35364685

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 15 Yes

Popular Name: Ethyl 4-bromo-1H-indole-2-carboxylate Ethyl 4-bromo-1H-indole-2-carbox…

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CAS Numbers: 103858-52-2 , [103858-52-2]

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) 3.37 6.56 -6.82 1 3 0 42 268.11 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 394-395° Oakwood Chemical
Purity 95% Fluorochem
Purity 95+% 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.