UCSF

ZINC02539041

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 Yes

Popular Name: Ethyl 7-bromoindole-2-carboxylate Ethyl 7-bromoindole-2-carboxylate

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CAS Numbers: 16732-69-7 , [16732-69-7]

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) 3.37 6.57 -5.37 1 3 0 42 268.11 3 ↓
Ref Reference (pH 7) 2.94 6.5 -8.37 0 3 0 39 268.11 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 85-86° 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.