UCSF

ZINC00170118

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 Yes

Popular Name: methyl 5-bromo-6-chloronicotinate methyl 5-bromo-6-chloronicotinate

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CAS Numbers: 13534-97-9 , 78686-77-8 , [78686-77-8]

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) 2.29 0.54 -4.4 0 3 0 39 250.479 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 279° Matrix Scientific
melting_point 75 - 77 KeyOrganics
MP 75-77° Matrix Scientific
Melting_Point 76-79? Alfa-Aesar
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.