UCSF

ZINC02382055

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 11 Yes

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

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CAS Numbers: 42444-14-4 , [42444-14-4]

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) 2.38 2.66 -8.79 0 1 0 17 152.168 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 31 - 33 Enamine Building Blocks
Melting_Point 31-34? Alfa-Aesar
Melting_Point 31-34° Alfa-Aesar
MP 31...33 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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