UCSF

ZINC01532113

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 13 No

Popular Name: 2,6-Dinitrotoluene 2,6-Dinitrotoluene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 25321-14-6 , 606-20-2

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) 2.21 6.24 -8.39 0 6 0 92 182.135 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 285? Alfa-Aesar
Boiling_Point 285° Alfa-Aesar
Melting_Point 58-65? Alfa-Aesar
Melting_Point 58-65° Alfa-Aesar
MP 64 - 66 Enamine Building Blocks
MP 64...66 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
UniProt Database Links GSTUO_ARATH ChEBI

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.