UCSF

ZINC03128457

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 17 Yes

Popular Name: 2-chloro-6-(4-methoxyphenyl)nicotinonitrile 2-chloro-6-(4-methoxyphenyl)nico…

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CAS Number: 306977-91-3

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) 3.37 1.99 -10.02 0 3 0 45 244.681 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 148? dec. Alfa-Aesar
Melting_Point 148° dec. Alfa-Aesar
Purity 97% Fluorochem

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