UCSF

ZINC00157124

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 11 Yes

Popular Name: 5-Chloro-2-methoxybenzonitrile 5-Chloro-2-methoxybenzonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 55877-79-7 , [55877-79-7]

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 2.49 -6.82 0 2 0 33 167.595 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Melting_Point 98-102? Alfa-Aesar
Melting_Point 98-102° Alfa-Aesar
Warnings IRRITANT Matrix Scientific
Warnings Toxic Matrix Scientific

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