UCSF

ZINC02512362

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 2-Fluoro-5-methoxybenzonitrile 2-Fluoro-5-methoxybenzonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 127667-01-0 , [127667-01-0]

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 4.2 -6.79 0 2 0 33 151.14 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 79.9-81.8° Oakwood Chemical
Melting_Point 81-85? Alfa-Aesar
Melting_Point 81-85° Alfa-Aesar
MP 82 TCI
Purity 97% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.