UCSF

ZINC14628524

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2008 12 Yes

Popular Name: Ethyl 2-bromoisonicotinate Ethyl 2-bromoisonicotinate

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CAS Numbers: 89978-52-9 , [89978-52-9]

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) 2.35 4.82 -5.09 0 3 0 39 230.061 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% 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.