UCSF

ZINC03883973

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 11 Yes

Popular Name: Methyl 2-chloroisonicotinate Methyl 2-chloroisonicotinate

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CAS Numbers: 58481-11-1 , [58481-11-1]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.84 3.82 -6.59 0 3 0 39 171.583 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 28-30°C Matrix Scientific
MP 31 - 33 Enamine Building Blocks
MP 31...33 Enamine Building Blocks
MP 33-35° Oakwood Chemical
melting_point 34 - 35 KeyOrganics
MP 34 - 36 Enamine Building Blocks
BP 84-88°/15 Torr Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% 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.