UCSF

ZINC02146925

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 15 No

Popular Name: 2-NITROISOPHTHALIC ACID 2-NITROISOPHTHALIC ACID

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CAS Numbers: 21161-11-5 , [21161-11-5]

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) 1.98 1.42 -112.96 0 7 -2 126 209.113 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 314° Matrix Scientific
Purity 95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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