UCSF

ZINC00075571

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

Popular Name: 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonitrile 3-(2-Chloro-6-fluorophenyl)-5-me…

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CAS Numbers: 175204-41-8 , [175204-41-8]

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) 2.75 4.38 -9 0 3 0 50 236.633 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 85° Matrix Scientific
Purity 95% Fluorochem
Warnings Irritant Matrix Scientific

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