UCSF

ZINC03884177

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 14 No

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

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CAS Numbers: 20583-31-7 , [20583-31-7]

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) 1.95 5.19 -8.81 1 5 0 75 189.174 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 195 - 197 KeyOrganics
MP 195-197° Matrix Scientific
Purity 97% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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