UCSF

ZINC00157367

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 8 Yes

Popular Name: 4-Iodo-3,5-dimethyl-1H-pyrazole 4-Iodo-3,5-dimethyl-1H-pyrazole

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CAS Numbers: 2033-45-6 , [2033-45-6]

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) 1.77 3.13 -4.55 1 2 0 29 222.029 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 137-140? Alfa-Aesar
Melting_Point 137-140° Alfa-Aesar
MP 140 TCI
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.