UCSF

ZINC19093573

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2008 15 No

Popular Name: 3-(4-Fluoro-phenyl)-1-methyl-1H-pyrazole-4-carbaldehyde 3-(4-Fluoro-phenyl)-1-methyl-1H-…

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CAS Numbers: 689250-53-1 , [689250-53-1]

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) 1.94 5.71 -12.32 0 3 0 35 204.204 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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