UCSF

ZINC08729989

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 14 Yes

Popular Name: dimethyl 4-iodo-1H-pyrazole-3,5-dicarboxylate dimethyl 4-iodo-1H-pyrazole-3,5-…

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CAS Numbers: 1027819-68-6 , [1027819-68-6]

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) 1.47 -0.08 -7.89 1 6 0 81 310.047 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 1.760000000000000e+002 - 1.780000000000000e+002 KeyOrganics
melting_point 176 - 178 KeyOrganics
MP 176-178° Matrix Scientific
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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