UCSF

ZINC04243617

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 12 Yes

Popular Name: 3-(4-methylphenyl)-1H-pyrazole 3-(4-methylphenyl)-1H-pyrazole

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CAS Numbers: 59843-00-3 , 59843-75-3 , [59843-75-3]

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) 2.44 5.21 -7.37 1 2 0 29 158.204 1 ↓
Ref Reference (pH 7) 2.44 5.16 -5.23 1 2 0 29 158.204 1 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 76 - 78 KeyOrganics
MP 76-78° Matrix Scientific
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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