UCSF

ZINC00077197

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 No

Popular Name: 1-(4-nitrophenyl)-1H-imidazole 1-(4-nitrophenyl)-1H-imidazole

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CAS Numbers: 2301-25-9 , [2301-25-9]

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) 1.23 7.59 -9.79 0 5 0 64 189.174 2 ↓
Mid Mid (pH 6-8) 1.23 8.1 -44.49 1 5 1 65 190.182 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 200-202° Matrix Scientific
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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