UCSF

ZINC00166285

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 Yes

Popular Name: 5-methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile 5-methoxy-1-methyl-3-(trifluorom…

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CAS Number: 321848-40-2

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) 1.38 2.5 -7.59 0 4 0 51 205.139 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 36 - 37 KeyOrganics
MP 36-37° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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