UCSF

ZINC02530964

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 Yes

Popular Name: 2-Chloro-4-methoxybenzonitrile 2-Chloro-4-methoxybenzonitrile

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CAS Numbers: 127666-99-3 , [127666-99-3]

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) 2.36 4.61 -5.82 0 2 0 33 167.595 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 71-75° Oakwood Chemical
Purity 97% Fluorochem

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