UCSF

ZINC01504246

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2004 11 Yes

Popular Name: 3-Fluoro-4-methoxybenzonitrile 3-Fluoro-4-methoxybenzonitrile

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CAS Numbers: 331-62-4 , [331-62-4]

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) 1.84 4.27 -7.07 0 2 0 33 151.14 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 101 TCI
Boiling_Point 96-98?/1mm Alfa-Aesar
BP 96-98°/1.5 Torr Matrix Scientific
Boiling_Point 96-98°/1mm Alfa-Aesar
Purity 97% Fluorochem
BP 98 / 1.5 TCI
Purity 98% Matrix Scientific
Melting_Point 98-100? Alfa-Aesar
MP 98-100° Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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