UCSF

ZINC02574868

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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CAS Numbers: 243128-37-2 , 331-62-2 , 51517-88-5 , [243128-37-2]

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 4.25 -6.21 0 2 0 33 151.14 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 105-107° Oakwood Chemical
Melting_Point 108-109? Alfa-Aesar
Melting_Point 108-109° Alfa-Aesar
MP 109 TCI
MP 109 - 111 Enamine Building Blocks
MP 109...111 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Boiling_Point 96-98?/1.5mm Alfa-Aesar
Boiling_Point 96-98°/1.5mm Alfa-Aesar
Purity 98% Fluorochem
Purity 99% Matrix Scientific
Warnings IRRITANT-HARMFUL Matrix Scientific

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Rings

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

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