UCSF

ZINC00157335

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 Yes

Popular Name: 3'-Fluoro-4'-methoxyacetophenone 3'-Fluoro-4'-methoxyacetophenone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 455-91-4 , [455-91-4]

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) 1.98 4.3 -11.14 0 2 0 26 168.167 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 147-148?/20mm Alfa-Aesar
Boiling_Point 147-148°/20mm Alfa-Aesar
BP 148 / 20 TCI
melting_point 88 - 90 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks
MP 90-93° Matrix Scientific
Melting_Point 90-94? Alfa-Aesar
Melting_Point 90-94° Alfa-Aesar
MP 92 TCI
MP 92 - 94 Enamine Building Blocks
MP 92...94 Enamine Building Blocks
purity 95 Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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