UCSF

ZINC00158806

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 9 Yes

Popular Name: 4-iodo-1,3,5-trimethyl-1H-pyrazole 4-iodo-1,3,5-trimethyl-1H-pyrazole

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CAS Numbers: 1072-91-9 , 51660-65-2 , [51660-65-2]

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) 1.84 4.38 -5.54 0 2 0 18 236.056 0 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 72 - 74 Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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

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