UCSF

ZINC00056579

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 No

Popular Name: Dimethyl 5-nitroisophthalate Dimethyl 5-nitroisophthalate

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CAS Numbers: 13290-96-5 , [13290-96-5] , [57052-99-0]

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) 2.17 3.99 -7.71 0 7 0 98 239.183 5 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 121-123? Alfa-Aesar
Melting_Point 121-123° Alfa-Aesar
MP 124 TCI
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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