UCSF

ZINC00170128

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 Yes

Popular Name: methyl 3-bromo-1H-indole-2-carboxylate methyl 3-bromo-1H-indole-2-carbo…

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CAS Numbers: 220664-31-3 , [220664-31-3]

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) 2.97 0.17 -6.9 1 3 0 42 254.083 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 151 - 153 KeyOrganics
MP 151-153° Matrix Scientific
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
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.