UCSF

ZINC01081320

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 17 No

Popular Name: Dimethyl 2-nitroterephthalate Dimethyl 2-nitroterephthalate

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CAS Numbers: 5292-45-5 , [5292-45-5]

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) 2.35 3.97 -14.6 0 7 0 98 239.183 5 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 72-75? Alfa-Aesar
Melting_Point 72-75° Alfa-Aesar
MP 75 TCI
Purity 95% Fluorochem

Activity (Go SEA)

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