UCSF

ZINC00167596

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 18 No

Popular Name: 5-methyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxylic acid 5-methyl-1-(4-nitrophenyl)-1H-1,…

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CAS Numbers: 1025-88-3 , [1025-88-3]

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) 0.46 7.34 -55.56 0 8 -1 117 247.19 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 203 - 205 KeyOrganics
MP 203-205° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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