UCSF

ZINC06072394

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2006 7 Yes

Popular Name: 4-Bromo-1-methyl-1H-pyrazole 4-Bromo-1-methyl-1H-pyrazole

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CAS Numbers: 15803-02-8 , 25676-75-9 , [15803-02-8]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.12 2.9 -5.13 0 2 0 18 161.002 0 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 185-188?/760mm Alfa-Aesar
BP 185-188° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
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.