UCSF

ZINC02390021

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 12 Yes

Popular Name: 3-Fluoro-4-methoxyphenylacetonitrile 3-Fluoro-4-methoxyphenylacetonit…

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CAS Numbers: 404-90-0 , [404-90-0]

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) 2.05 3.52 -11.91 0 2 0 33 165.167 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 33 - 35 Enamine Building Blocks
MP 33...35 Enamine Building Blocks
Melting_Point 47-49? Alfa-Aesar
Melting_Point 47-49° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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